SCHEMBL29533009

SCHEMBL29533009

O=C([O-])C1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccccc1.[Na+].[Na+]

nearest known ligand 0.51

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ LMNA P02545 4/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MEN1 O00255 8/20 0.51
▸ KMT2A Q03164 8/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ GAA P10253 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ATM Q13315 2/20 0.43
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL41562 0.94 MEN1 (0.48) MAPTALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL41561 0.94 MEN1 (0.48) MAPTALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL1461510 0.93 MEN1 (0.50) MAPTALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL473260 0.93 MEN1 (0.47) MAPTALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL1831128 0.92 MEN1 (0.47) MAPTALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL31255141 0.92 MEN1 (0.48) MAPTALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL10623311 0.90 MAPT (0.62) MAPTALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL9821193 0.86 KMT2A (0.39) MAPTALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL28836944 0.83 MEN1 (0.48) MAPTALDH1A1LMNANPC1SMN1; SMN2
SCHEMBL342266 0.83 MAPT (0.75) MAPTALDH1A1LMNANPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 209 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547208-B1 PROCESS FOR REMOVING THE COLOUR FROM PREVIOUSLY DYED KERATINOUS HAIR FIBRES OREAL (FR) 2026-05-27 — — EP disclosed
US-12636246-B2 Process for colouring hair keratin fibers, comprising the application of a composition comprising at least one (poly)carbodiimide compound and a composition comprising at least one associative polymer and a particular compound L'OREAL (FR) 2026-05-26 — — US disclosed
CN-122094656-A Method for dyeing hair keratin fibres, comprising the step of washing the hair keratin fibres with a particular composition and subsequently applying to the hair keratin fibres a particular dyeing composition — 2026-05-26 — — CN disclosed
WO-2026039882-A1 METHODS FOR REDUCING COLOR FADING IN COLOR-TREATED HAIR L'OREAL (FR) 2026-02-26 — — WO disclosed
US-12533303-B2 Composition for the simultaneous bleaching and dyeing of keratin fibres and process using this composition L'OREAL (FR) 2026-01-27 — — US disclosed
US-20260007583-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION OREAL (FR) 2026-01-08 — — US disclosed
US-20250381107-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION OREAL (FR) 2025-12-18 — — US disclosed
US-20250381106-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION OREAL (FR) 2025-12-18 — — US disclosed
US-20250375361-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION OREAL (FR) 2025-12-11 — — US disclosed
EP-4452211-B1 PROCESS FOR REMOVING MAKEUP FROM KERATIN FIBRES WHICH HAVE BEEN TREATED BEFOREHAND WITH A COMPOSITION COMPRISING A PHOTOCROSSLINKABLE POLYMER OREAL (FR) 2025-12-03 — — EP disclosed
EP-4017465-A1 COMPOSITION COMPRISING AT LEAST ONE ALKOXYSILANE OF FORMULA (I), AT LEAST ONE ALKOXYSILANE OF FORMULA (II), AT LEAST ONE NONAMINO SILICONE, AND OPTIONALLY PIGMENTS AND/OR DIRECT DYES L'OREAL (FR) 2022-06-29 — — EP disclosed
WO-2022129344-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING THIS COMPOSITION L'OREAL (FR) 2022-06-23 — — WO disclosed
WO-2022129343-A1 PROCESS FOR LIGHTENING KERATIN FIBRES L'OREAL (FR) 2022-06-23 — — WO disclosed
WO-2022129347-A1 COMPOSITION FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES AND PROCESS USING THIS COMPOSITION L'OREAL (FR) 2022-06-23 — — WO disclosed
WO-2022129346-A1 COMPOSITION FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES AND PROCESS EMPLOYING THIS COMPOSITION L'OREAL (FR) 2022-06-23 — — WO disclosed
WO-2022129345-A1 PROCESS FOR LIGHTENING KERATIN FIBRES L'OREAL (FR) 2022-06-23 — — WO disclosed
WO-2022129157-A1 COMPOSITION COMPRISING AT LEAST ONE SILICONE OF FORMULA (I), AT LEAST ONE SILICONE OF FORMULA (II) AND AT LEAST ONE COLORING AGENT L'OREAL (FR) 2022-06-23 — — WO disclosed
US-20220183944-A1 PROCESS FOR DYEING KERATIN MATERIALS USING A DIRECT DYE AND AN ALIPHATIC AMMONIUM SALT, AND COMPOSITION COMPRISING SAME L'OREAL (FR) 2022-06-16 — — US disclosed
EP-3986366-A1 COMPOSITION COMPRISING AT LEAST ONE ALKOXYSILANE, AT LEAST ONE NON-AMINO SILICONE AND WATER, THE ALKOXYSILANE/NON-AMINO SILICONE MASS RATIO RANGING FROM 95/5 TO 5/95 L'OREAL (FR) 2022-04-27 — — EP disclosed
CN-114340588-A Composition comprising at least one alkoxysilane of formula (I), at least one alkoxysilane of formula (II), at least one non-amino silicone and optionally a pigment and/or direct dye 莱雅公司 2022-04-12 — — CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12533303-B2 Composition for the simultaneous bleaching and dyeing of keratin fibres and process using this composition KRT18, CA12, CA7 MAPT 1375/4885ALDH1A1 1626/4885LMNA 1592/4885
US-20250381106-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION KRT18, VIM, MAP1LC3A MAPT 126/4885ALDH1A1 730/4885LMNA 74/4885
US-20260007583-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION KRT18, F12, VIM MAPT 1050/4885ALDH1A1 1427/4885LMNA 211/4885
US-12636246-B2 Process for colouring hair keratin fibers, comprising the application of a composition comprising at least one (poly)carbodiimide compound and a composition comprising at least one associative polymer and a particular compound KRT18, CYC1, CYBA MAPT 3102/4885ALDH1A1 197/4885LMNA 773/4885
US-20250375361-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION KRT18, VIM, MAP1LC3A MAPT 122/4885ALDH1A1 900/4885LMNA 85/4885
US-20220183944-A1 PROCESS FOR DYEING KERATIN MATERIALS USING A DIRECT DYE AND AN ALIPHATIC AMMONIUM SALT, AND COMPOSITION COMPRISING SAME KRT18, MARK1, IK MAPT 465/4885ALDH1A1 873/4885LMNA 1449/4885
US-20250381107-A1 COMPOSITION FOR LIGHTENING KERATIN FIBRES AND PROCESS FOR LIGHTENING KERATIN FIBRES USING SAID COMPOSITION KRT18, VIM, MAP1LC3A MAPT 122/4885ALDH1A1 739/4885LMNA 102/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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