SCHEMBL6138943

SCHEMBL6138943

Nc1ccc(N)c(C(=O)C=CN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.52
NPC1 O15118 8/20 0.52
RAB9A P51151 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
USP2 O75604 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
TP53 P04637 2/20 0.52
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
IDO1 P14902 1/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALOX12 P18054 3/20 0.50
POLB P06746 2/20 0.50
MAPK1 P28482 2/20 0.50
HSP90AA1 P07900 1/20 0.50
THRB P10828 2/20 0.41
PKM P14618 2/20 0.41
APEX1 P27695 1/20 0.41

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 SCHEMBL6138875 0.99 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL6139109 0.88 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL6096641 0.88 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL6094789 0.88 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2USP2
Hydrochloric Acid SCHEMBL6139145 0.87 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2USP2
Hydrochloric Acid SCHEMBL6093512 0.86 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL6138997 0.82 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2USP2
Hydrochloric Acid SCHEMBL6139196 0.81 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL6138772 0.77 MAPT (0.39) MAPTNPC1RAB9ASMN1; SMN2USP2
Hydrochloric Acid SCHEMBL6139491 0.76 MAPT (0.41) MAPTNPC1RAB9ASMN1; SMN2USP2

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 5 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
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 755/4885NPC1 4808/4885RAB9A 4670/4885

“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.