SCHEMBL2859796

SCHEMBL2859796

Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)[O-])c3c2C(=O)c2c(O)ccc(O)c2C3=O)c(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.47

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
P2RY4 known ✓ P51582 9/20 0.47
P2RY2 known ✓ P41231 7/20 0.47
P2RY12 known ✓ Q9H244 6/20 0.42
P2RY6 known ✓ Q15077 2/20 0.42
P2RY1 known ✓ P47900 2/20 0.42
THRB known ✓ P10828 1/20 0.38
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
G6PD P11413 1/20 0.42
HSD17B2 P37059 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
MET P08581 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40
CDK2 P24941 1/20 0.39

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
SCHEMBL185515 0.91 P2RY4 (0.59) P2RY4P2RY2P2RY12P2RY6P2RY1
SCHEMBL29354251 0.91 P2RY4 (0.59) P2RY4P2RY2P2RY12P2RY6P2RY1
SCHEMBL30311409 0.91 P2RY4 (0.59) P2RY4P2RY2P2RY12P2RY6P2RY1
SCHEMBL9173810 0.86 MEN1 (0.48) P2RY4P2RY2MEN1KMT2AGAA
SCHEMBL30204994 0.85 MEN1 (0.47) MEN1KMT2AGAAG6PDHSD17B2
SCHEMBL126076 0.82 P2RY4 (0.67) P2RY4P2RY2P2RY12P2RY6P2RY1
SCHEMBL29350751 0.82 P2RY4 (0.67) P2RY4P2RY2P2RY12P2RY6P2RY1
SCHEMBL14646644 0.82 MEN1 (0.44) P2RY4P2RY2MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL30808003 0.81 P2RY4 (0.65) P2RY4P2RY2P2RY12P2RY6P2RY1
SCHEMBL10613738 0.80 RAPGEF4 (0.47) P2RY4P2RY2MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149345-A1 LAUNDRY DETERGENT PRODUCT UNILEVER IP HOLDINGS B.V. (NL) 2025-07-17 WO claimed
CN-114981395-B Laundry detergent product 联合利华知识产权控股有限公司 2024-11-26 CN claimed
US-11884784-B2 Photodynamic compositions, methods of making, and uses thereof NORTH CAROLINA STATE UNIVERSITY (US) 2024-01-30 US claimed
US-20230407208-A1 LAUNDRY DETERGENT PRODUCT CONOPCO, INC., D/B/A UNILEVER (US) 2023-12-21 US claimed
EP-4097206-B1 LAUNDRY DETERGENT PRODUCT UNILEVER IP HOLDINGS B V (NL) 2023-08-09 EP claimed
CN-112946140-B Method for detecting water-soluble anion synthetic pigment in food 广州市食品检验所(广州市酒类检测中心) 2023-03-21 CN claimed
EP-4097206-A1 LAUNDRY DETERGENT PRODUCT Unilever IP Holdings B.V. (NL) 2022-12-07 EP claimed
CN-115066484-A Laundry detergent product 联合利华知识产权控股有限公司 2022-09-16 CN claimed
CN-114981395-A Laundry detergent product 联合利华知识产权控股有限公司 2022-08-30 CN claimed
EP-0525073-B1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA DU PONT (US) 1994-05-25 EP claimed
EP-0525073-A1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA. DU PONT (US) 1993-02-03 EP claimed
WO-1991015954-A1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-31 WO claimed
EP-4547208-B1 PROCESS FOR REMOVING THE COLOUR FROM PREVIOUSLY DYED KERATINOUS HAIR FIBRES OREAL (FR) 2026-05-27 EP 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
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
EP-4362892-B1 COMPOSITION COMPRISING AT LEAST ONE ALKYL (POLY)GLYCOSIDE, AT LEAST ONE FATTY ALCOHOL, AT LEAST ONE FATTY ACID, AND AT LEAST ONE ALKALINE AGENT OREAL (FR) 2026-04-15 EP disclosed
US-20050197634-A1 Methods for coating and impregnating medical devices with antiseptic compositions BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-09-08 US disclosed
EP-0525073-B1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA DU PONT (US) 1994-05-25 EP disclosed
EP-0525073-A1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA. DU PONT (US) 1993-02-03 EP disclosed
WO-1991015954-A1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-31 WO 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 (1 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-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 P2RY4 4709/4885P2RY2 4718/4885P2RY12 4498/4885

“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.