SCHEMBL342266

SCHEMBL342266

CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccccc1.[Na+]

nearest known ligand 0.75

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 10/20 0.75
▸ ALDH1A1 P00352 7/20 0.75
▸ NPC1 O15118 5/20 0.75
▸ SMN1; SMN2 Q16637 4/20 0.75
▸ LMNA P02545 4/20 0.75
▸ RAB9A P51151 4/20 0.75
▸ MAPK1 P28482 3/20 0.75
▸ TDP1 Q9NUW8 2/20 0.75
▸ MEN1 O00255 10/20 0.72
▸ KMT2A Q03164 10/20 0.72
▸ CYP1A2 P05177 2/20 0.72
▸ GAA P10253 1/20 0.72
▸ POLB P06746 3/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ ATM Q13315 1/20 0.61
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CASP3 P42574 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL31152951 0.95 MEN1 (0.79) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL28244569 0.91 MEN1 (0.66) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL31222678 0.88 MAPT (0.75) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL28737009 0.87 MAPT (0.73) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL305974 0.86 MAPT (1.00) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL305975 0.86 MAPT (1.00) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL14255284 0.84 MEN1 (1.00) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL2866190 0.84 MAPT (0.58) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL30544458 0.84 MAPT (0.58) MAPTALDH1A1NPC1SMN1; SMN2LMNA
SCHEMBL29533009 0.83 MAPT (0.51) MAPTALDH1A1NPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122025660-A Porous current collector, pole piece, battery and preparation method 山西师范大学 2026-05-12 — — CN disclosed
EP-4608958-A1 COMPOSITION Unilever IP Holdings B.V. (NL) 2025-09-03 — — EP disclosed
US-20250108658-A1 INKJET PRINTING PROCESSES FOR TEMPORARY TATTOOS Prism Inks, Inc. (US) 2025-04-03 — — US disclosed
CN-118703059-A All-solid-state composite pigment with independently controllable absorption and scattering, preparation method and application thereof 中国人民解放军国防科技大学 2024-09-27 — — CN disclosed
CN-117990625-A Dye liquor concentration monitoring method based on mixed spectrum classification 浙江理工大学 2024-05-07 — — CN disclosed
WO-2024088706-A1 COMPOSITION UNILEVER IP HOLDINGS B.V. (NL) 2024-05-02 — — WO disclosed
CN-114988630-B Method and system for recycling waste sulfuric acid containing boric acid by using 1, 4-dihydroxyanthraquinone 甘肃金缘泰新材料有限公司 2023-05-09 — — CN disclosed
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 — — WO disclosed
EP-2710996-B1 Sunscreen compositions comprising colour pigments BASF SE (DE) 2022-08-17 — — EP disclosed
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants BASF SE (DE) 2022-07-12 — — US disclosed
US-20120017931-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2012-01-26 — — US disclosed
US-20120012128-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2012-01-19 — — US disclosed
US-20110033400-A1 SUNSCREEN COMPOSITIONS COMPRISING COLOUR PIGMENTS BASF SE (US) 2011-02-10 — — US disclosed
US-7713472-B2 Antiseptic derivatives with broad spectrum antimicrobial activity for the impregnation of surfaces BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-05-11 — — US disclosed
US-7651661-B2 Medical devices with broad spectrum antimicrobial activity BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-01-26 — — US disclosed
US-20080183152-A1 MEDICAL DEVICES WITH BROAD SPECTRUM ANTIMICROBIAL ACTIVITY RAAD ISSAM 2008-07-31 — — US disclosed
US-20070154621-A1 METHODS FOR COATING SURFACES WITH ANTIMICROBIAL AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-07-05 — — US 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
US-5807604-A SOLVENT MIXTURE COMPRISING TARTRAZINE YELLOW AND AQUEOUS ETHYLENE GLYCOL PRESERVED BOTANICALS, INC. (US) 1998-09-15 — — US disclosed
US-5693361-A SOAKING NATURAL PLANT MATERIALS IN AQUEOUS SOLUTION CONTAINING ETHYLENE GLYCOL AND DISSOLVED CARBON DIOXIDE, FOR DECORATIONS PRESERVED BOTANICALS, INC. (US) 1997-12-02 — — US 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 (4 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-20120012128-A1 HAIR DYEING COMPOSITION CYC1, CYB5R3, TYR MAPT 4485/4885ALDH1A1 355/4885NPC1 3297/4885
US-20110033400-A1 SUNSCREEN COMPOSITIONS COMPRISING COLOUR PIGMENTS TYR, ERCC1, ERCC4 MAPT 752/4885ALDH1A1 221/4885NPC1 434/4885
US-20120017931-A1 HAIR DYEING COMPOSITION CYB5R3, CYC1, CYCS MAPT 4571/4885ALDH1A1 456/4885NPC1 3365/4885
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants SLC14A1, XDH, PNP MAPT 1718/4885ALDH1A1 1062/4885NPC1 4536/4885

“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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