SCHEMBL3891040

SCHEMBL3891040

CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/c1ccc(N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.55
KMT2A Q03164 11/20 0.55
MAPT P10636 9/20 0.52
ALDH1A1 P00352 6/20 0.52
L3MBTL1 Q9Y468 6/20 0.52
TDP1 Q9NUW8 4/20 0.52
BCL2 P10415 3/20 0.52
BAX Q07812 3/20 0.52
BCL2L1 Q07817 3/20 0.52
ALPL P05186 1/20 0.52
ALPI P09923 1/20 0.52
ALPG P10696 1/20 0.52
POLB P06746 2/20 0.51
THRB P10828 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 2/20 0.49
DNMT1 P26358 1/20 0.49

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
SCHEMBL3891044 1.00 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL28911495 0.89 BCL2 (0.63) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL3887417 0.88 MAPT (0.66) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL3887420 0.88 MAPT (0.66) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL3887414 0.88 MAPT (0.66) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL15250730 0.82 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL15269395 0.82 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL15269391 0.82 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL12297699 0.79 BCL2 (0.82) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL3886224 0.78 KMT2A (0.54) MEN1KMT2AMAPTALDH1A1L3MBTL1

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 8 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-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-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
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
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 MEN1 4265/4885KMT2A 3682/4885MAPT 1821/4885

“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.