SCHEMBL3887420

SCHEMBL3887420

CC1=NN(c2nc3ccccc3s2)C(=O)C1=CC=Cc1ccc(N(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.66
KMT2A Q03164 12/20 0.66
MEN1 O00255 10/20 0.66
MAPK1 P28482 7/20 0.66
L3MBTL1 Q9Y468 5/20 0.66
TDP1 Q9NUW8 4/20 0.66
LMNA P02545 4/20 0.66
HTT P42858 4/20 0.66
PKM P14618 3/20 0.66
OPRK1 P41145 2/20 0.66
ALDH1A1 P00352 6/20 0.51
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
APP P05067 8/20 0.49
RAB9A P51151 2/20 0.49
INSR P06213 1/20 0.49
NCOA1 Q15788 1/20 0.49
KDM4E B2RXH2 2/20 0.46
SNCA P37840 6/20 0.45
CA1 P00915 1/20 0.44

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
SCHEMBL3887414 1.00 MAPT (0.66) MAPTKMT2AMEN1MAPK1L3MBTL1
SCHEMBL3887417 1.00 MAPT (0.66) MAPTKMT2AMEN1MAPK1L3MBTL1
SCHEMBL3891040 0.88 MEN1 (0.55) MAPTKMT2AMEN1MAPK1L3MBTL1
SCHEMBL3891044 0.88 MEN1 (0.55) MAPTKMT2AMEN1MAPK1L3MBTL1
SCHEMBL16081336 0.80 MAPT (1.00) MAPTKMT2AMEN1MAPK1L3MBTL1
SCHEMBL15269395 0.79 MEN1 (0.66) MAPTKMT2AMEN1MAPK1L3MBTL1
SCHEMBL15269391 0.79 MEN1 (0.66) MAPTKMT2AMEN1MAPK1L3MBTL1
SCHEMBL15250730 0.79 MEN1 (0.66) MAPTKMT2AMEN1MAPK1L3MBTL1
SCHEMBL28911495 0.77 BCL2 (0.63) MAPTKMT2AMEN1MAPK1L3MBTL1
SCHEMBL3885808 0.73 MAPT (0.58) MAPTKMT2AMEN1MAPK1L3MBTL1

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

“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.