SCHEMBL3583722

SCHEMBL3583722

N#Cc1cc(-c2ncccc2C(=O)O)ccc1OCCCCc1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL3593046 0.97 XDH (0.42) XDH
SCHEMBL3593449 0.89 XDH (0.44) XDHALDH1A1HPGD
SCHEMBL3587268 0.88 AR (0.41) XDHALDH1A1HPGD
SCHEMBL3585744 0.88 XDH (0.49) XDHALDH1A1HPGD
SCHEMBL3588914 0.85 AR (0.41) XDH
SCHEMBL3584617 0.84 XDH (0.50) XDH
SCHEMBL3588186 0.84 XDH (0.43) XDH
SCHEMBL3583133 0.84 XDH (0.48) XDHALDH1A1HPGD
SCHEMBL3589177 0.83 XDH (0.46) XDHALDH1A1HPGD
SCHEMBL3589529 0.83 XDH (0.51) XDH

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 1/4885ALDH1A1 429/4885HPGD 746/4885

“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.