SCHEMBL3589210

SCHEMBL3589210

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPGD P15428 4/20 0.47
ALDH1A1 P00352 7/20 0.45
TDP1 Q9NUW8 5/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
HTT P42858 2/20 0.44
GPR55 Q9Y2T6 1/20 0.44
F11 P03951 1/20 0.44
LMNA P02545 3/20 0.43
ELANE P08246 1/20 0.43
POLQ O75417 1/20 0.42
XDH P47989 1/20 0.42
HSD17B10 Q99714 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL3590048 0.91 XDH (0.53) KDM4ENPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL3587009 0.90 KDM4E (0.46) KDM4ENPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL3579913 0.88 KDM4E (0.48) KDM4ENPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL13545894 0.88 KDM4E (0.50) KDM4ENPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL3584941 0.88 KDM4E (0.42) KDM4ENPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL3583167 0.88 XDH (0.53) XDH
SCHEMBL3591093 0.87 KDM4E (0.47) KDM4ENPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL3588218 0.86 XDH (0.45) KDM4ECYP3A4ALDH1A1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL3583449 0.86 KDM4E (0.46) KDM4ENPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL3578614 0.86 KDM4E (0.48) KDM4ENPSR1CYP1A2CYP3A4CYP2C9

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 2392/4885NPSR1 2928/4885CYP1A2 379/4885

“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.