SCHEMBL14150577

SCHEMBL14150577

COC(=O)c1cc(C#N)nc(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 2/20 0.69
GAA P10253 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
XDH P47989 1/20 0.41
GFER P55789 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
FUT7 Q11130 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 2/20 0.40

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
SCHEMBL26690167 0.85 KDM4E (0.47) KDM4EALDH1A1L3MBTL1LMNAPOLB
SCHEMBL14150821 0.85 KDM4E (0.51) KDM4EALDH1A1CA1CA2CA12
SCHEMBL31662342 0.84 KDM4E (0.50) KDM4EALDH1A1GAACA1CA2
SCHEMBL28647265 0.84 KDM4E (0.47) KDM4EALDH1A1GAACA1CA2
SCHEMBL31662445 0.83 KDM4E (0.49) KDM4EALDH1A1GAACA1CA2
SCHEMBL31211666 0.82 KDM4E (0.50) KDM4EALDH1A1GAACA1CA2
SCHEMBL3512793 0.82 KDM4E (0.50) KDM4EALDH1A1GAACA1CA2
SCHEMBL31703363 0.81 KDM4E (0.46) KDM4EALDH1A1GAACA1CA2
SCHEMBL31703152 0.81 ALDH1A1 (0.46) KDM4EALDH1A1GAACA1CA2
SCHEMBL14150731 0.78 KDM4E (0.44) KDM4EALDH1A1GAACA1CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111825654-A Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof 北京酷瓴生物技术有限公司 2020-10-27 CN disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed
EP-2718271-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-08-12 EP disclosed
US-9029370-B2 Substituted benzamide derivatives HOFFMANN-LA ROCHE INC. (US) 2015-05-12 US disclosed
EP-2718271-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
WO-2012168265-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120316165-A1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-12-13 US 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-20120316165-A1 SUBSTITUTED BENZAMIDE DERIVATIVES NPY4R, PER2, NPY1R KDM4E 1330/4885ALDH1A1 600/4885GAA 367/4885

“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.