SCHEMBL3889124

SCHEMBL3889124

CC1=NN(c2cccc[n+]2C)C(=O)/C1=C/c1ccc(O)cc1.COS(=O)(=O)[O-]

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

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 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.45
MEN1 O00255 6/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
KAT8 Q9H7Z6 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SIRT5 Q9NXA8 2/20 0.42
PTGS2 P35354 2/20 0.41
GAA P10253 3/20 0.41
ATM Q13315 1/20 0.41
PSMD14 O00487 1/20 0.40
AMY1A P0DUB6 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
SCHEMBL3889127 1.00 KMT2A (0.45) KMT2AMEN1L3MBTL1ALDH1A1HPGD
SCHEMBL3889681 0.89 KMT2A (0.52) KMT2AMEN1L3MBTL1ALDH1A1HPGD
SCHEMBL3889675 0.89 KMT2A (0.52) KMT2AMEN1L3MBTL1ALDH1A1HPGD
SCHEMBL3887256 0.87 KMT2A (0.53) KMT2AMEN1L3MBTL1ALDH1A1HPGD
SCHEMBL3887258 0.87 KMT2A (0.53) KMT2AMEN1L3MBTL1ALDH1A1HPGD
SCHEMBL3885818 0.80 KMT2A (0.41) KMT2AMEN1L3MBTL1ALDH1A1HPGD
SCHEMBL3885822 0.80 KMT2A (0.41) KMT2AMEN1L3MBTL1ALDH1A1HPGD
SCHEMBL3891294 0.79 SIRT5 (0.43) KMT2AMEN1L3MBTL1ALDH1A1HPGD
SCHEMBL3891296 0.79 SIRT5 (0.43) KMT2AMEN1L3MBTL1ALDH1A1HPGD
SCHEMBL3897763 0.79 KMT2A (0.43) KMT2AMEN1L3MBTL1ALDH1A1HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534273-B2 Cationic pyrazolone dyes, method for production thereof and coloring agents for keratin fibers containing said compounds WELLA AG (DE) 2009-05-19 US claimed
US-20080263787-A1 Cationic Pyrazolone Dyes, Method for Production Thereof and Coloring Agents for Keratin Fibers Containing Said Compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2008-10-30 US claimed
EP-1771517-A1 CATIONIC PYRAZOLONE DYES METHOD FOR PRODUCTION THEREOF AND COLOURING AGENTS FOR KERATIN FIBRES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2007-04-11 EP claimed
WO-2006012934-A1 CATIONIC PYRAZOLONE DYES METHOD FOR PRODUCTION THEREOF AND COLOURING AGENTS FOR KERATIN FIBRES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-02-09 WO claimed
US-7534273-B2 Cationic pyrazolone dyes, method for production thereof and coloring agents for keratin fibers containing said compounds WELLA AG (DE) 2009-05-19 US disclosed
US-20080263787-A1 Cationic Pyrazolone Dyes, Method for Production Thereof and Coloring Agents for Keratin Fibers Containing Said Compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2008-10-30 US disclosed
EP-1773929-A1 STABILISER COMPOSITION MADE FROM LIQUID AND SOLID UV-ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2007-04-18 EP disclosed
EP-1771517-A1 CATIONIC PYRAZOLONE DYES METHOD FOR PRODUCTION THEREOF AND COLOURING AGENTS FOR KERATIN FIBRES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2007-04-11 EP disclosed
WO-2006012934-A1 CATIONIC PYRAZOLONE DYES METHOD FOR PRODUCTION THEREOF AND COLOURING AGENTS FOR KERATIN FIBRES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2006-02-09 WO disclosed
WO-2006013071-A1 STABILISER COMPOSITION MADE FROM LIQUID AND SOLID UV-ABSORBERS BASF AKTIENGESELLSCHAFT (DE) 2006-02-09 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-20080263787-A1 Cationic Pyrazolone Dyes, Method for Production Thereof and Coloring Agents for Keratin Fibers Containing Said Compounds KRT18, KLK5, IK KMT2A 3682/4885MEN1 4265/4885L3MBTL1 4866/4885

“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.