SCHEMBL3585744

SCHEMBL3585744

N#Cc1cc(-c2ncccc2C(=O)O)ccc1OCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.49
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL3584617 0.97 XDH (0.50) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL3589529 0.94 XDH (0.51) XDHFNTAFNTBPGGT1B
SCHEMBL3589293 0.91 PDE4A (0.45) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL3583718 0.90 XDH (0.42) XDHALDH1A1HPGD
SCHEMBL3585625 0.89 XDH (0.52) XDH
SCHEMBL3589177 0.88 XDH (0.46) XDHALDH1A1HPGD
SCHEMBL3587961 0.88 XDH (0.42) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL3583722 0.88 XDH (0.41) XDHALDH1A1HPGD
SCHEMBL3586586 0.87 XDH (0.43) XDH
SCHEMBL3581421 0.87 ALDH1A1 (0.61) XDHALDH1A1HPGD

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 1/4885PDE4A 1997/4885PDE4B 1577/4885

“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.