SCHEMBL6011272

SCHEMBL6011272

COc1c(N)cccc1-c1ccc(N)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CYP3A4 P08684 2/20 0.41
CYP19A1 P11511 4/20 0.38
FYN P06241 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.36
CASP1 P29466 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CHEK1 O14757 2/20 0.35

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
SCHEMBL6011402 0.86 CASP1 (0.42) ALDH1A1CYP3A4CYP19A1FYNGAA
SCHEMBL6011366 0.86 GAA (0.51) ALDH1A1CYP3A4CYP19A1FYNGAA
SCHEMBL27186014 0.86 IMPDH2 (0.44) ALDH1A1CYP3A4CYP19A1FYNGAA
SCHEMBL30839805 0.86 IMPDH2 (0.44) ALDH1A1CYP3A4CYP19A1FYNGAA
SCHEMBL6011377 0.85 CA1 (0.40) ALDH1A1CYP3A4CYP19A1L3MBTL1GAA
SCHEMBL31607690 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4L3MBTL1GAACASP1
SCHEMBL2203933 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4L3MBTL1GAACASP1
SCHEMBL27186017 0.83 CYP19A1 (0.43) ALDH1A1CYP3A4CYP19A1FYNGAA
SCHEMBL30839811 0.83 CYP19A1 (0.43) ALDH1A1CYP3A4CYP19A1FYNGAA
SCHEMBL3791585 0.83 ALDH1A1 (0.56) ALDH1A1CYP3A4L3MBTL1GAACASP1

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 120/4885CYP3A4 3726/4885CYP19A1 4194/4885

“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.