SCHEMBL3579351

SCHEMBL3579351

N#Cc1cc(-c2ncccc2C(=O)O)ccc1OCCc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 10/20 0.52
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 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
SCHEMBL3585625 0.95 XDH (0.52) XDHFFAR1FFAR4
SCHEMBL3589529 0.92 XDH (0.51) XDHFNTAFNTBPGGT1B
SCHEMBL3596993 0.90 XDH (0.52) XDH
SCHEMBL3581418 0.90 XDH (0.53) XDH
SCHEMBL3598978 0.89 XDH (0.43) XDH
SCHEMBL3583133 0.88 XDH (0.48) XDH
SCHEMBL3585311 0.88 XDH (0.55) XDHS1PR1S1PR3
SCHEMBL3584617 0.87 XDH (0.50) XDHFNTAFNTBPGGT1B
SCHEMBL3582223 0.87 NPC1 (0.48) XDH
SCHEMBL3585744 0.86 XDH (0.49) XDHFNTAFNTBPGGT1B

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 1/4885FNTA 521/4885FNTB 354/4885

“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.