SCHEMBL2985308

SCHEMBL2985308

Nc1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.68
CA12 O43570 3/20 0.68
CA2 P00918 3/20 0.68
CA9 Q16790 3/20 0.68
GAA P10253 2/20 0.52
ALB P02768 1/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
GFER P55789 2/20 0.50
MAPT P10636 2/20 0.50
HIF1A Q16665 1/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 3/20 0.45
PRMT1 Q99873 1/20 0.45
ACHE P22303 1/20 0.45
HSP90AA1 P07900 1/20 0.44
CYP2C9 P11712 2/20 0.42
CYP3A4 P08684 2/20 0.42

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 SCHEMBL10848274 0.98 CA1 (0.67) CA1CA12CA2CA9GAA
SCHEMBL16641986 0.84 CA1 (0.64) CA1CA12CA2CA9GAA
SCHEMBL16641981 0.84 CA12 (0.63) CA1CA12CA2CA9GAA
SCHEMBL16645384 0.83 CA1 (0.52) CA1CA12CA2CA9GAA
SCHEMBL11764387 0.83 CA12 (0.62) CA1CA12CA2CA9GAA
SCHEMBL15367450 0.81 LMNA (0.47) CA1CA12CA2CA9ALB
SCHEMBL16645393 0.80 CA12 (0.59) CA1CA12CA2CA9GAA
SCHEMBL16645403 0.80 CYP2C9 (0.61) CA1CA12CA2CA9GAA
SCHEMBL16641984 0.79 ALB (0.61) CA1CA12CA2CA9GAA
SCHEMBL10848159 0.79 CA12 (0.64) CA1CA12CA2CA9GAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150105324-A1 COMPOSITIONS AND METHODS FOR TREATING PTSD AND RELATED DISEASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-04-16 US disclosed
US-20150105324-A1 COMPOSITIONS AND METHODS FOR TREATING PTSD AND RELATED DISEASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-04-16 US disclosed
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-1226107-B1 N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES CONTAINING COLOURING AGENTS FOR KERATIN FIBRES AND NOVEL N-BENZYL-P-PHENYLENEDIAMINE-DERIVATIVES WELLA AG (DE) 2005-10-05 EP 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 (2 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-20150105324-A1 COMPOSITIONS AND METHODS FOR TREATING PTSD AND RELATED DISEASES GRIN2A, GRIN1, GRIN2C CA1 455/4885CA12 1006/4885CA2 2163/4885
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives KRT18, KPNB1, VIM CA1 2791/4885CA12 2012/4885CA2 2166/4885

“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.