SCHEMBL6011533

SCHEMBL6011533

Cc1cccc(-c2ccc(N)cc2N)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.48
CD44 P16070 1/20 0.48
ANPEP P15144 1/20 0.47
DPP4 P27487 1/20 0.47
PLA2G7 Q13093 1/20 0.44
ALDH1A1 P00352 7/20 0.42
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
TSHR P16473 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
CYP3A4 P08684 5/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PTPRC P08575 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL397458 0.86 ANPEP (0.49) CASP1CD44ANPEPDPP4PLA2G7
SCHEMBL6011236 0.85 CASP1 (0.48) CASP1CD44ANPEPDPP4PLA2G7
SCHEMBL3788238 0.85 ALDH1A1 (0.48) CD44ANPEPDPP4ALDH1A1NPC1
SCHEMBL3785981 0.84 PLA2G7 (0.61) CASP1CD44ANPEPDPP4PLA2G7
SCHEMBL6011421 0.84 CASP1 (0.52) CASP1ANPEPDPP4PLA2G7ALDH1A1
SCHEMBL6011387 0.82 CASP1 (0.54) CASP1CD44ANPEPDPP4PLA2G7
SCHEMBL6011495 0.82 ALDH1A1 (0.44) CASP1CD44ALDH1A1NPC1RAB9A
SCHEMBL6011386 0.81 CASP1 (0.45) CASP1CD44ANPEPDPP4PLA2G7
SCHEMBL3790203 0.81 CD44 (0.62) CD44ANPEPDPP4PLA2G7ALDH1A1
SCHEMBL30839806 0.81 CD44 (0.62) CD44ANPEPDPP4PLA2G7ALDH1A1

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 967/4885CD44 1186/4885ANPEP 3049/4885

“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.