SCHEMBL6011428

SCHEMBL6011428

COc1ccc(-c2ccc(N)cc2N)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 8/20 0.46
CYP3A4 P08684 4/20 0.46
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
THRB P10828 2/20 0.43
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL6011927 0.89 TDP1 (0.54) TDP1MAPK1ALDH1A1CYP3A4CASP1
SCHEMBL6011534 0.88 CASP1 (0.48) TDP1MAPK1ALDH1A1CYP3A4CASP1
Hydrochloric Acid SCHEMBL6574687 0.86 ALDH1A1 (0.49) TDP1MAPK1ALDH1A1CYP3A4CASP1
SCHEMBL6011418 0.84 ALDH1A1 (0.48) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL5688123 0.83 ALDH1A1 (0.51) TDP1MAPK1ALDH1A1CYP3A4CASP1
SCHEMBL6011503 0.82 CASP1 (0.58) TDP1MAPK1ALDH1A1CYP3A4CASP1
SCHEMBL12326180 0.82 CA1 (0.50) ALDH1A1CYP3A4MAPTMEN1KMT2A
SCHEMBL6011542 0.82 ALDH1A1 (0.55) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL6011394 0.82 ALDH1A1 (0.56) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL1673424 0.82 ALDH1A1 (0.46) TDP1ALDH1A1CYP3A4SMN1; SMN2MAPT

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 TDP1 755/4885MAPK1 116/4885ALDH1A1 120/4885

“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.