SCHEMBL3589010

SCHEMBL3589010

CC(C)(C)COc1ccc(B(O)O)cc1C#N

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.47
AAK1 Q2M2I8 7/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ENPP2 Q13822 2/20 0.36
AR P10275 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3585125 0.87 XDH (0.38) XDHAAK1ALDH1A1HPGDAR
SCHEMBL12128121 0.85 KDM4E (0.40) XDHAAK1ALDH1A1ENPP2AR
SCHEMBL8216484 0.83 XDH (0.43) XDHALDH1A1HPGDENPP2AR
SCHEMBL3591595 0.82 MGLL (0.42) XDHAAK1AR
SCHEMBL3593175 0.81 NPC1 (0.41) ALDH1A1ENPP2ARNPC1RAB9A
SCHEMBL3590939 0.81 XDH (0.51) XDHALDH1A1HPGDENPP2AR
SCHEMBL29951250 0.81 ALDH1A1 (0.50) XDHALDH1A1HPGDAR
SCHEMBL12127975 0.79 ALDH1A1 (0.56) XDHALDH1A1HPGDAR
SCHEMBL1331417 0.79 XDH (0.52) XDH
SCHEMBL3599508 0.79 ADRB2 (0.43) ALDH1A1ENPP2ARNPC1RAB9A

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 1/4885AAK1 1888/4885ALDH1A1 429/4885

“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.