SCHEMBL3578378

SCHEMBL3578378

COCOc1ccc(Br)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.51
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
AAK1 Q2M2I8 2/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
AR P10275 1/20 0.38
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
HPGD P15428 1/20 0.38
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL430108 0.85 EGFR (0.47) XDHEGFRERBB2MAOBMAOA
SCHEMBL392560 0.83 MAOB (0.47) XDHEGFRERBB2MAOBMAOA
Hydrochloric Acid SCHEMBL27743340 0.81 MAOB (0.46) XDHEGFRERBB2MAOBMAOA
SCHEMBL29964800 0.80 ALDH1A1 (0.61) EGFRERBB2MAOBMAOAALDH1A1
SCHEMBL393816 0.80 ALDH1A1 (0.61) EGFRERBB2MAOBMAOAALDH1A1
SCHEMBL23143199 0.80 XDH (0.51) XDHEGFRERBB2ALDH1A1KDM4E
SCHEMBL7928285 0.80 HPGD (0.51) XDHMAOBMAOAAAK1ALDH1A1
SCHEMBL28867665 0.80 XDH (0.51) XDHMAOBMAOAALDH1A1KDM4E
SCHEMBL29940793 0.80 XDH (0.51) XDHMAOBMAOAALDH1A1KDM4E
SCHEMBL30313000 0.80 NPC1 (0.57) XDHMAOBMAOAALDH1A1KDM4E

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 1/4885EGFR 4781/4885ERBB2 3270/4885

“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.