SCHEMBL6011401

SCHEMBL6011401

COc1cc(C)ccc1-c1ccc(N)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
CYP3A4 P08684 3/20 0.53
ACHE P22303 3/20 0.48
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 3/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
HTT P42858 1/20 0.42
NR4A1 P22736 1/20 0.41
CASP1 P29466 2/20 0.41
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 4/20 0.38
ALOX15 P16050 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6011530 0.89 MAPT (0.52) ALDH1A1CYP3A4IMPDH2IMPDH1MAPT
SCHEMBL6011391 0.88 ALDH1A1 (0.56) ALDH1A1CYP3A4ACHEIMPDH2IMPDH1
SCHEMBL6011538 0.82 CYP3A4 (0.54) ALDH1A1CYP3A4ACHEMAPTKDM4E
SCHEMBL9938324 0.82 ACHE (0.68) ALDH1A1CYP3A4ACHEMAPTMAPK1
SCHEMBL29784853 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4ACHEMAPTKDM4E
SCHEMBL6011394 0.82 ALDH1A1 (0.56) ALDH1A1CYP3A4IMPDH2IMPDH1MAPT
SCHEMBL6572397 0.81 PDE10A (0.47) ALDH1A1CYP3A4ACHEIMPDH2IMPDH1
SCHEMBL6011404 0.81 MAOB (0.53) ALDH1A1IMPDH2IMPDH1MAPTKDM4E
SCHEMBL347390 0.80 MAPT (0.59) ALDH1A1CYP3A4IMPDH2IMPDH1MAPT
SCHEMBL30839714 0.80 MAPT (0.59) ALDH1A1CYP3A4IMPDH2IMPDH1MAPT

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 3726/4885ACHE 1971/4885

“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.