SCHEMBL2990519

SCHEMBL2990519

Cc1c(N)ccc(N)c1Cc1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
CYP19A1 P11511 1/20 0.43
ENPP1 P22413 3/20 0.41
MAP2K1 Q02750 2/20 0.41
CYP3A4 P08684 3/20 0.40
TSHR P16473 1/20 0.40
PIK3CA P42336 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
RAF1 P04049 1/20 0.39
ACHE P22303 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 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
Hydrochloric Acid SCHEMBL2981078 0.98 MAOB (0.46) MAOBMAOACYP19A1ENPP1MAP2K1
SCHEMBL2987810 0.83 IDH1 (0.48) ENPP1CYP3A4CA1CA2CA9
SCHEMBL10510786 0.82 MAOA (0.44) MAOBMAOACYP19A1ENPP1MAP2K1
SCHEMBL3076273 0.81 CALM1 (0.44) CYP3A4TSHRPIK3CARECQLALDH1A1
SCHEMBL2990081 0.77 CYP3A4 (0.52) MAOBMAOACYP19A1ENPP1CYP3A4
SCHEMBL6069526 0.76 MAOB (0.42) MAOBMAOACYP19A1ENPP1CYP3A4
SCHEMBL2993413 0.76 MAOB (0.46) MAOBMAOACYP19A1ENPP1MAP2K1
SCHEMBL30583096 0.76 MAOB (0.62) MAOBMAOACYP19A1CYP3A4TSHR
SCHEMBL49433 0.76 MAOB (0.62) MAOBMAOACYP19A1CYP3A4TSHR
SCHEMBL6069604 0.76 GAA (0.47) MAOBMAOACYP19A1CYP3A4TSHR

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
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US disclosed
EP-1493731-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and these derivatives Wella Aktiengesellschaft (DE) 2005-01-05 EP disclosed
US-6689174-B2 FOR OXIDATIVELY DYEING HUMAN HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-02-10 US disclosed
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives CHASSOT LAURENT (CH) 2002-11-14 US disclosed
EP-1226107-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2002-07-31 EP disclosed
WO-2002018318-A1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-07 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-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives KRT18, KPNB1, VIM MAOB 2097/4885MAOA 2451/4885CYP19A1 4546/4885

“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.