SCHEMBL3589529

SCHEMBL3589529

N#Cc1cc(-c2ncccc2C(=O)O)ccc1OCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.51
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
CYP19A1 P11511 1/20 0.45
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
PGGT1B P53609 2/20 0.44
SLC22A12 Q96S37 1/20 0.43

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 0.95 XDH (0.50) XDHFNTAFNTBPGGT1BSLC22A12
SCHEMBL3585744 0.94 XDH (0.49) XDHFNTAFNTBPGGT1B
SCHEMBL3579351 0.92 XDH (0.52) XDHFNTAFNTBPGGT1B
SCHEMBL3581418 0.92 XDH (0.53) XDHSLC22A12
SCHEMBL3596993 0.92 XDH (0.52) XDH
SCHEMBL3598978 0.90 XDH (0.43) XDHCYP11B1CYP11B2
SCHEMBL3585311 0.89 XDH (0.55) XDH
SCHEMBL3585625 0.89 XDH (0.52) XDH
SCHEMBL3582223 0.88 NPC1 (0.48) XDH
SCHEMBL3588186 0.88 XDH (0.43) XDHSLC22A12

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 1/4885CYP11B1 1530/4885CYP11B2 1491/4885

“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.