SCHEMBL334854

SCHEMBL334854

COc1ccncc1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
KCNMA1 Q12791 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
TGM2 P21980 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SRC P12931 1/20 0.43
TGFBR1 P36897 1/20 0.43
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 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
SCHEMBL459318 0.85 KDM4E (0.47) CA12CA1CA2CA9GAA
SCHEMBL30465506 0.85 KDM4C (0.49) CA12CA1CA2CA9GAA
SCHEMBL668446 0.85 KDM4C (0.49) CA12CA1CA2CA9GAA
SCHEMBL29617706 0.83 SIRT3 (0.59) CA12CA1CA2CA9GAA
SCHEMBL11590754 0.83 CA12 (0.46) CA12CA1CA2CA9GAA
SCHEMBL3966553 0.83 SIRT3 (0.59) CA12CA1CA2CA9GAA
SCHEMBL3464020 0.83 KDM4C (0.47) CA12CA1CA2CA9GAA
SCHEMBL9646602 0.83 KDM4E (0.59) CA12CA1CA2CA9GAA
Hydrochloric Acid SCHEMBL11590758 0.83 KDM4C (0.47) CA12CA1CA2CA9GAA
Bromide SCHEMBL27690676 0.83 KDM4E (0.46) CA12CA1CA2CA9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016535-A1 TERPYRIDINE DIKETONE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳信立泰药业股份有限公司 2023-02-16 WO disclosed
WO-2015187934-A1 FUNCTIONALIZED HETROARYL ENONES EXHIBITING NRF2 ACTIVATION AND THEIR METHOD OF USE CUREVEDA, LLC (US) 2015-12-10 WO disclosed
WO-2015187934-A1 FUNCTIONALIZED HETROARYL ENONES EXHIBITING NRF2 ACTIVATION AND THEIR METHOD OF USE CUREVEDA, LLC (US) 2015-12-10 WO disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP disclosed
US-5973156-A Piperidine and tetrahydropyridine derivatives MERCK SHARP & DOME LTD. (GB) 1999-10-26 US disclosed
EP-0861245-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1998-09-02 EP disclosed
WO-1997019073-A1 PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 WO 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 CA12 2721/4885CA1 3677/4885CA2 3065/4885

“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.