SCHEMBL6138772

SCHEMBL6138772

Nc1ccc(N)c(C(=O)C=CN2CCC(O)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
THRB P10828 2/20 0.39
USP2 O75604 2/20 0.39
PKM P14618 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
GFER P55789 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
YWHAG P61981 1/20 0.36
HTT P42858 1/20 0.35
CHRNA7 P36544 4/20 0.34

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
Hydrochloric Acid SCHEMBL6139491 0.99 MAPT (0.41) MAPTMEN1KMT2ATHRBUSP2
SCHEMBL6139384 0.94 GAA (0.42) MAPTMEN1KMT2ATHRBUSP2
Hydrochloric Acid SCHEMBL6139144 0.93 GAA (0.41) MAPTMEN1KMT2ATHRBUSP2
SCHEMBL6138997 0.92 MAPT (0.41) MAPTMEN1KMT2ATHRBUSP2
Hydrochloric Acid SCHEMBL6139196 0.91 MAPT (0.43) MAPTMEN1KMT2ATHRBUSP2
SCHEMBL6093384 0.82 KDM4E (0.40) MAPTMEN1KMT2ATHRBRECQL
SCHEMBL6096099 0.82 SMARCA2 (0.36) MAPTMEN1KMT2ATHRBTDP1
SCHEMBL6139109 0.82 MAPT (0.49) MAPTMEN1KMT2ATHRBUSP2
Hydrochloric Acid SCHEMBL6092945 0.81 KDM4E (0.39) MAPTMEN1KMT2ATHRBRECQL
Hydrochloric Acid SCHEMBL6139145 0.81 MAPT (0.49) MAPTMEN1KMT2ATHRBUSP2

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
EP-1263712-B1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2005-12-14 EP claimed
US-6699990-B2 COLORFASTNESS; WATERPROOFING; OXIDATIVE COLOR HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 US claimed
US-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-31 US claimed
EP-1263712-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-12-11 EP claimed
WO-2002074731-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-26 WO claimed
EP-1263712-B1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2005-12-14 EP disclosed
US-6699990-B2 COLORFASTNESS; WATERPROOFING; OXIDATIVE COLOR HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-31 US disclosed
EP-1263712-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-12-11 EP disclosed
WO-2002074731-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-26 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-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds DPYD, AOC1, GPX4 MAPT 755/4885MEN1 4488/4885KMT2A 4214/4885

“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.