SCHEMBL6138706

SCHEMBL6138706

Nc1ccc(N)c(C(=O)C=CN2CCCC2CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
THRB P10828 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
YWHAG P61981 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
MCL1 Q07820 1/20 0.36
HTT P42858 1/20 0.36
CHRNB2 P17787 1/20 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 SCHEMBL6138641 0.99 MEN1 (0.38) GFERGAAMEN1KMT2AMAPT
SCHEMBL6095128 0.91 MEN1 (0.39) GFERGAAMEN1KMT2AMAPT
SCHEMBL6095314 0.89 MEN1 (0.36) GAAMEN1KMT2AMAPTTHRB
Hydrochloric Acid SCHEMBL6095013 0.89 ACHE (0.39) GFERGAAMEN1KMT2AMAPT
SCHEMBL6139109 0.76 MAPT (0.49) GFERGAAMEN1KMT2AMAPT
SCHEMBL6139384 0.76 GAA (0.42) GFERGAAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6139145 0.75 MAPT (0.49) GFERGAAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6139144 0.75 GAA (0.41) GFERGAAMEN1KMT2AMAPT
SCHEMBL6138997 0.74 MAPT (0.41) GFERGAAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6139196 0.73 MAPT (0.43) GFERGAAMEN1KMT2AMAPT

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 3 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 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

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 GFER 74/4885GAA 1281/4885MEN1 4488/4885

“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.