SCHEMBL3590939

SCHEMBL3590939

COCOc1ccc(B(O)O)cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.51
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ENPP2 Q13822 3/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AR P10275 1/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 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
SCHEMBL8216484 0.84 XDH (0.43) XDHNPC1RAB9AALDH1A1KDM4E
SCHEMBL3274361 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2ENPP2AR
SCHEMBL29821479 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2ENPP2AR
SCHEMBL29951250 0.82 ALDH1A1 (0.50) XDHALDH1A1HPGDAR
SCHEMBL12127975 0.81 ALDH1A1 (0.56) XDHALDH1A1HPGDAR
SCHEMBL1331417 0.81 XDH (0.52) XDH
SCHEMBL3589010 0.81 XDH (0.47) XDHNPC1RAB9AALDH1A1ENPP2
SCHEMBL5973009 0.78 ENPP2 (0.53) XDHNPC1RAB9AENPP2TP53
SCHEMBL15156401 0.78 ENPP2 (0.52) ENPP2
SCHEMBL12128121 0.78 KDM4E (0.40) XDHALDH1A1KDM4EUSP2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 EP 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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO XDH 1/4885NPC1 112/4885RAB9A 4341/4885

“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.