SCHEMBL3887396

SCHEMBL3887396

COc1cc(C=C2C(=O)N(c3ccccn3)N=C2C)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
POLB P06746 1/20 0.60
MEN1 O00255 7/20 0.54
ALDH1A1 P00352 6/20 0.54
MAPT P10636 5/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.54
THRB P10828 1/20 0.54
AMY1A P0DUB6 4/20 0.53
PTGS2 P35354 1/20 0.52
PKM P14618 2/20 0.52
HPGD P15428 3/20 0.52
PSMD14 O00487 1/20 0.52
HTT P42858 1/20 0.52
PAX8 Q06710 1/20 0.50
EP300 Q09472 1/20 0.50
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL3887393 1.00 KMT2A (0.60) KMT2AL3MBTL1POLBMEN1ALDH1A1
SCHEMBL3886224 0.78 KMT2A (0.54) KMT2AL3MBTL1POLBMEN1ALDH1A1
SCHEMBL3886216 0.78 KMT2A (0.54) KMT2AL3MBTL1POLBMEN1ALDH1A1
SCHEMBL11045187 0.78 KMT2A (0.81) KMT2AL3MBTL1POLBMEN1ALDH1A1
SCHEMBL420585 0.78 KMT2A (0.72) KMT2AL3MBTL1POLBMEN1ALDH1A1
SCHEMBL6654185 0.77 PTGS2 (0.68) KMT2AL3MBTL1POLBMEN1ALDH1A1
SCHEMBL6654187 0.77 PTGS2 (0.68) KMT2AL3MBTL1POLBMEN1ALDH1A1
SCHEMBL3887258 0.75 KMT2A (0.53) KMT2AL3MBTL1POLBMEN1ALDH1A1
SCHEMBL3887256 0.75 KMT2A (0.53) KMT2AL3MBTL1POLBMEN1ALDH1A1
SCHEMBL4749100 0.75 KMT2A (0.55) KMT2AL3MBTL1POLBMEN1ALDH1A1

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 4 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 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-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

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 3682/4885L3MBTL1 4866/4885POLB 2970/4885

“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.