SCHEMBL3579152

SCHEMBL3579152

CCOC(=O)c1cccnc1-c1ccc(OCC(C)(C)Cc2ccccc2C(F)(F)F)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 5/20 0.39
AR P10275 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
XDH P47989 1/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GPR55 Q9Y2T6 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SCN9A Q15858 2/20 0.36

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
SCHEMBL3589302 0.90 XDH (0.41) ARXDHAAK1
SCHEMBL3584079 0.89 KDM4E (0.46) KDM4EHTTALDH1A1L3MBTL1TDP1
SCHEMBL3580264 0.88 KDM4E (0.40) KDM4EHTTSMN1; SMN2ALDH1A1AR
SCHEMBL3585538 0.87 KDM4E (0.39) KDM4EHTTSMN1; SMN2ALDH1A1AR
SCHEMBL3581427 0.86 KDM4E (0.41) KDM4EHTTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL3585522 0.83 KDM4E (0.43) KDM4EHTTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3584978 0.82 KDM4E (0.40) KDM4EHTTALDH1A1L3MBTL1TDP1
SCHEMBL3591239 0.79 KDM4E (0.40) KDM4EHTTALDH1A1L3MBTL1TDP1
SCHEMBL3582231 0.79 KDM4E (0.43) KDM4EHTTALDH1A1L3MBTL1TDP1
SCHEMBL3589210 0.79 KDM4E (0.52) KDM4EHTTALDH1A1L3MBTL1TDP1

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 2392/4885HTT 648/4885SMN1; SMN2 3324/4885

“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.