SCHEMBL6011269

SCHEMBL6011269

Nc1ccc(-c2cccc(Cl)c2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
TDO2 P48775 1/20 0.49
DHFR P00374 1/20 0.47
ADORA2A P29274 3/20 0.44
ADORA1 P30542 3/20 0.44
MAOB P27338 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PGR P06401 1/20 0.42
BACE1 P56817 1/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IKBKE Q14164 1/20 0.39
JAK2 O60674 1/20 0.39
ADORA2B P29275 1/20 0.39

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
SCHEMBL10706273 0.86 ALDH1A1 (0.56) ALDH1A1TDO2DHFRADORA2AADORA1
SCHEMBL6571989 0.85 ALDH1A1 (0.54) ALDH1A1TDO2DHFRADORA2AADORA1
SCHEMBL6011321 0.84 MAOA (0.54) ALDH1A1NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL6572248 0.83 ALDH1A1 (0.52) ALDH1A1TDO2DHFRADORA2AADORA1
SCHEMBL5687745 0.83 ALDH1A1 (0.52) ALDH1A1TDO2DHFRADORA2AADORA1
Hydrochloric Acid SCHEMBL5684866 0.81 ALDH1A1 (0.50) ALDH1A1TDO2DHFRADORA2AADORA1
SCHEMBL21770705 0.81 ALDH1A1 (0.54) ALDH1A1TDO2DHFRADORA2AADORA1
SCHEMBL398850 0.80 ALDH1A1 (0.58) ALDH1A1TDO2DHFRADORA2AADORA1
SCHEMBL29575632 0.80 ALDH1A1 (0.58) ALDH1A1TDO2DHFRADORA2AADORA1
SCHEMBL21770966 0.79 ALDH1A1 (0.52) ALDH1A1TDO2DHFRADORA2AADORA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP claimed
EP-1355619-B1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AG (DE) 2006-12-06 EP disclosed
US-7056347-B2 Coloring agents for keratin fibers containing (1,1′-biphenyl)-2,4-diamine derivatives in addition to novel (1,1′-biphenyl)-2,4-diamine-derivatives WELLA AG (DE) 2006-06-06 US disclosed
EP-1355619-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2003-10-29 EP disclosed
US-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-09-18 US disclosed
WO-2002062307-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-08-15 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-20030172470-A1 Colouring agents for keratin fibres containing (1.1'-biphenyl)-2.4-diamine derivatives in addition to novel (1.1'-biphenyl)-2.4-diamine-derivatives KRT18, DSP, DSG1 ALDH1A1 120/4885TDO2 2572/4885DHFR 1184/4885

“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.