SCHEMBL3590293

SCHEMBL3590293

CCOC(=O)c1cccnc1-c1ccc(OCCc2cc(C)ccc2C)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ELANE P08246 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
XDH P47989 3/20 0.38
GPR55 Q9Y2T6 1/20 0.38
S1PR1 P21453 1/20 0.37

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
SCHEMBL3582231 0.91 KDM4E (0.43) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL3587389 0.90 KDM4E (0.45) KDM4EHTTXDH
SCHEMBL3590249 0.87 ALDH1A1 (0.42) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL3579913 0.86 KDM4E (0.48) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL3584941 0.84 KDM4E (0.42) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL3589142 0.84 MEN1 (0.41) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL3590048 0.83 XDH (0.53) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL3590470 0.83 KDM4E (0.44) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL13545894 0.83 KDM4E (0.50) KDM4EALDH1A1HTTCYP1A2CYP2C9
SCHEMBL3587009 0.82 KDM4E (0.46) KDM4EALDH1A1HTTCYP1A2CYP2C9

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 KDM4E 2392/4885ALDH1A1 429/4885HTT 648/4885

“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.