SCHEMBL6011503

SCHEMBL6011503

Cc1cc(N)ccc1-c1ccc(N)cc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.58
ALDH1A1 P00352 9/20 0.54
PDE10A Q9Y233 1/20 0.48
TSHR P16473 5/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
THRB P10828 2/20 0.42
GAA P10253 2/20 0.42
NR4A1 P22736 1/20 0.42
PTK2B Q14289 1/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLA2G7 Q13093 1/20 0.38
ANPEP P15144 1/20 0.38
DPP4 P27487 1/20 0.38
NPC1 O15118 3/20 0.38

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
SCHEMBL29777463 0.90 ALDH1A1 (0.65) CASP1ALDH1A1PDE10ATSHRCYP3A4
SCHEMBL30839745 0.90 ALDH1A1 (0.65) CASP1ALDH1A1PDE10ATSHRCYP3A4
SCHEMBL63910 0.90 ALDH1A1 (0.65) CASP1ALDH1A1PDE10ATSHRCYP3A4
SCHEMBL16280579 0.90 ALDH1A1 (0.65) CASP1ALDH1A1PDE10ATSHRCYP3A4
SCHEMBL3789675 0.89 ALDH1A1 (0.52) CASP1ALDH1A1PDE10ATSHRCYP3A4
SCHEMBL6011361 0.89 CASP1 (0.52) CASP1ALDH1A1PDE10ATSHRCYP3A4
SCHEMBL5437682 0.87 ALDH1A1 (0.62) CASP1ALDH1A1PDE10ATSHRCYP3A4
Hydrochloric Acid SCHEMBL866171 0.87 ALDH1A1 (0.62) CASP1ALDH1A1PDE10ATSHRCYP3A4
SCHEMBL29883688 0.87 ALDH1A1 (0.62) CASP1ALDH1A1PDE10ATSHRCYP3A4
Hydrochloric Acid SCHEMBL4651933 0.87 ALDH1A1 (0.62) CASP1ALDH1A1PDE10ATSHRCYP3A4

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 CASP1 967/4885ALDH1A1 120/4885PDE10A 4234/4885

“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.