SCHEMBL3584079

SCHEMBL3584079

CCOC(=O)c1cccnc1-c1ccc(OCC(C)(C)Cc2ccccc2OC)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
NPSR1 Q6W5P4 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 7/20 0.41
TSHR P16473 1/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
HTT P42858 2/20 0.39
XDH P47989 1/20 0.39
MAPT P10636 3/20 0.38
GPR55 Q9Y2T6 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 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
SCHEMBL3589390 0.90 XDH (0.42) CYP3A4XDH
SCHEMBL3579152 0.89 KDM4E (0.39) KDM4ENPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL3579913 0.87 KDM4E (0.48) KDM4ENPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL3584978 0.87 KDM4E (0.40) KDM4ENPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL3589210 0.86 KDM4E (0.52) KDM4ENPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL3581427 0.83 KDM4E (0.41) KDM4ENPSR1ALDH1A1HTTXDH
SCHEMBL3587493 0.82 KDM4E (0.41) KDM4ENPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL3590048 0.81 XDH (0.53) KDM4ENPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL3582231 0.80 KDM4E (0.43) KDM4ENPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL3585522 0.80 KDM4E (0.43) KDM4ENPSR1CYP1A2CYP2C9CYP2C19

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.