SCHEMBL1906970

SCHEMBL1906970

COC(=O)c1ccc(-n2ccc(C#N)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.44
NAMPT P43490 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
FBP1 P09467 1/20 0.39

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
SCHEMBL23013209 0.85 HTT (0.44) HTTALDH1A1NAMPTPOLBRXFP1
SCHEMBL7822502 0.83 TP53 (0.47) ALDH1A1MAPT
SCHEMBL1907012 0.81 DDAH1 (0.47)
SCHEMBL7393 0.77 CA1 (0.57) ALDH1A1NAMPTCA1CA2TDP1
SCHEMBL29229109 0.77 HTT (0.55) HTTALDH1A1CA1CA2TDP1
Charcoal, Activated SCHEMBL31430427 0.76 CA1 (0.55) ALDH1A1NAMPTCA1CA2TDP1
SCHEMBL2240089 0.74 HTT (0.63) HTTALDH1A1CA1CA2TDP1
SCHEMBL7006276 0.74 ALDH1A1 (0.50) ALDH1A1MAPT
SCHEMBL20764570 0.73 PTPN11 (0.59) ALDH1A1NAMPTCA1CA2TDP1
SCHEMBL7401479 0.73 CA1 (0.53) NAMPTCA1CA2TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932833-B1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KISSEI PHARMACEUTICAL (JP) 2012-08-01 EP disclosed
US-7947707-B2 Nitrogenated heterocyclic compound and pharmaceutical composition comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-05-24 US disclosed
US-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-10 US disclosed
EP-1932833-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2008-06-18 EP disclosed
US-5215994-A Treating or preventing hypertension or heart failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US 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-20090306396-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME XDH, CBR3, CBR1 HTT 2813/4885ALDH1A1 280/4885NAMPT 1045/4885

“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.