SCHEMBL6011376

SCHEMBL6011376

Nc1ccc(-c2cccc(CCO)c2)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
CYP19A1 P11511 2/20 0.43
HTR7 P34969 2/20 0.43
ACMSD Q8TDX5 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CDK8 P49336 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
BACE1 P56817 1/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ASH1L Q9NR48 1/20 0.34

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
SCHEMBL6011659 0.83 CA2 (0.42) CYP19A1MAOAMAOBTDP1BACE1
SCHEMBL27747310 0.81 LOXL2 (0.43) CYP19A1HTR7MAOAMAOBCDK8
SCHEMBL6011731 0.80 BCL2 (0.41) CYP19A1HTR7MAOAMAOB
SCHEMBL6187403 0.80 BACE1 (0.49) MAP4K4ACMSDTDP1CYP4F2CYP4A11
SCHEMBL6011321 0.77 MAOA (0.54) MAP4K4MAOA
SCHEMBL632456 0.77 MAOA (0.65) MAP4K4CYP19A1MAOAMAOBTDP1
SCHEMBL29498393 0.74 ALDH1A1 (0.58) MAOATDP1BACE1TAAR1
SCHEMBL1074534 0.74 ALDH1A1 (0.58) MAOATDP1BACE1TAAR1
SCHEMBL6011365 0.74 CA12 (0.54) MAP4K4CDK8TDP1
SCHEMBL3789534 0.73 MAPT (0.46) MAP4K4CYP19A1MAOACYP11B1CYP11B2

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 MAP4K4 423/4885CYP19A1 4194/4885HTR7 4503/4885

“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.