SCHEMBL3583718

SCHEMBL3583718

N#Cc1cc(-c2ncccc2C(=O)O)ccc1OCCCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL3586586 0.97 XDH (0.43) XDHTAS2R14
SCHEMBL3585744 0.90 XDH (0.49) XDHALDH1A1HPGD
SCHEMBL3586916 0.89 XDH (0.54) XDH
SCHEMBL3585625 0.87 XDH (0.52) XDH
SCHEMBL3584617 0.87 XDH (0.50) XDH
SCHEMBL3589293 0.86 PDE4A (0.45) XDHALDH1A1HPGD
SCHEMBL3585311 0.85 XDH (0.55) XDH
SCHEMBL3587268 0.85 AR (0.41) XDHTAS2R14ALDH1A1HPGD
SCHEMBL3584446 0.85 XDH (0.46) XDHTAS2R14
SCHEMBL3587316 0.84 TAS2R14 (0.43) XDHTAS2R14

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 1/4885TAS2R14 3466/4885ALDH1A1 429/4885

“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.