SCHEMBL3583579

SCHEMBL3583579

CCOC(=O)c1c(C)ccnc1-c1ccc(OCCc2ccc(C(F)(F)F)cc2)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.43
XDH P47989 4/20 0.41
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL3582449 0.91 XDH (0.48) S1PR1XDHS1PR3S1PR5
SCHEMBL3590093 0.83 KDM4E (0.46) S1PR1XDHS1PR3S1PR5PPARD
SCHEMBL3582707 0.80 XDH (0.53) S1PR1XDHKDM4E
SCHEMBL3585725 0.79 XDH (0.47) S1PR1XDHS1PR3MAPTKDM4E
SCHEMBL3583163 0.77 XDH (0.45) S1PR1XDHS1PR3S1PR5
Hydrochloric Acid SCHEMBL3580188 0.76 XDH (0.42) XDHMAPTKDM4EMEN1KMT2A
SCHEMBL3581427 0.75 KDM4E (0.41) S1PR1XDHS1PR3S1PR5MAPT
SCHEMBL3586586 0.74 XDH (0.43) S1PR1XDHS1PR3S1PR5
SCHEMBL3585522 0.73 KDM4E (0.43) S1PR1XDHMAPTKDM4EHTT
SCHEMBL3583718 0.73 XDH (0.42) XDH

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 S1PR1 1999/4885XDH 1/4885S1PR3 2299/4885

“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.