SCHEMBL6069339

SCHEMBL6069339

O=Cc1cc(NC(=O)O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.49
CDK1 P06493 1/20 0.43
SNCA P37840 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PLCG1 P19174 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PELI1 Q96FA3 1/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 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
SCHEMBL974694 0.84 PKM (0.51) ERN1MEN1NPC1ALDH1A1POLB
SCHEMBL23414162 0.80 NPC1 (0.44) ERN1MEN1NPC1MAPTRAB9A
SCHEMBL15390942 0.80 EPHX1 (0.47) MEN1NPC1POLBGAAMAPT
SCHEMBL3231550 0.80 CYP3A4 (0.53) MEN1NPC1ALDH1A1POLBGAA
SCHEMBL18716965 0.79 ERN1 (0.53) ERN1CDK1TRIM24TRIM33
Hydrochloric Acid SCHEMBL18986071 0.77 ERN1 (0.44) ERN1CDK1SNCATRIM24TRIM33
SCHEMBL27494912 0.77 ALDH1A1 (0.61) MEN1NPC1ALDH1A1MAPTTHRB
SCHEMBL22820565 0.77 ERN1 (0.52) ERN1CDK1TRIM24TRIM33
SCHEMBL2981356 0.76 CA12 (0.49) ERN1MEN1ALDH1A1POLBGAA
SCHEMBL31192035 0.76 CA12 (0.49) ERN1MEN1ALDH1A1POLBGAA

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-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 US disclosed
EP-1390341-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-02-25 EP disclosed
US-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2003-10-02 US disclosed
WO-2002096854-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-12-05 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-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds KRT18, VIM, KPNB1 ERN1 1104/4885CDK1 1689/4885SNCA 2166/4885

“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.