SCHEMBL3589203

SCHEMBL3589203

COc1ccc(C(C)(C)COc2ccc(-c3ncccc3C(=O)O)cc2C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.43
SLC22A12 Q96S37 1/20 0.41
CYP3A4 P08684 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 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
SCHEMBL3592102 0.92 XDH (0.46) XDHSLC22A12
SCHEMBL3589465 0.90 XDH (0.44) XDHSLC22A12AAK1
SCHEMBL3587493 0.90 KDM4E (0.41) XDHCYP3A4AAK1
SCHEMBL3590050 0.88 XDH (0.42) XDHSLC22A12CYP3A4AAK1
SCHEMBL3583752 0.85 XDH (0.57) XDHSLC22A12
SCHEMBL3584954 0.84 XDH (0.48) XDHSLC22A12
SCHEMBL3598978 0.83 XDH (0.43) XDH
SCHEMBL3587961 0.83 XDH (0.42) XDHSLC22A12
SCHEMBL3592443 0.82 F11 (0.51) XDHSLC22A12
SCHEMBL3589293 0.82 PDE4A (0.45) 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 1/4885SLC22A12 292/4885CYP3A4 1588/4885

“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.