SCHEMBL17199253

SCHEMBL17199253

CCn1c(-c2cccc(C(F)(F)F)c2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
SCN2A Q99250 1/20 0.43
ABCG2 Q9UNQ0 7/20 0.42
MAPK14 Q16539 1/20 0.42
CFTR P13569 1/20 0.42
KIF11 P52732 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
PPARG P37231 1/20 0.41
MAOB P27338 1/20 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
SCHEMBL22683012 0.94 CYP19A1 (0.44) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL17199149 0.87 CYP19A1 (0.49) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL2425532 0.85 CYP19A1 (0.52) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL2421702 0.83 CYP19A1 (0.69) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL17199186 0.83 CYP19A1 (0.52) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL18470554 0.81 GRIK1 (0.46) KMT2AMAPK14GRIK1GRIK2PPARG
SCHEMBL17199125 0.80 GRIK1 (0.45) MEN1KMT2AMAPTCYP1A2ABCG2
SCHEMBL28220763 0.80 GRIK1 (0.43) MAPTMAPK14GRIK1GRIK2PPARG
SCHEMBL2419878 0.79 CYP19A1 (0.52) CYP19A1MEN1KMT2ALMNAMAPT
SCHEMBL17199255 0.76 CYP19A1 (0.52) CYP19A1MEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133068-B1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai hengrui pharmaceutical co ltd (CN) 2020-11-25 EP disclosed
US-10081629-B2 Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-09-25 US disclosed
CN-105636951-B Amide derivatives and its officinal salt, its preparation method and its application in medicine 上海恒瑞医药有限公司 2018-05-15 CN disclosed
EP-3133068-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2017-02-22 EP disclosed
EP-3133068-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2017-02-22 EP disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
CN-105636951-A Amide derivatives and pharmaceutically acceptable salts thereof, preparation method and medical application thereof Shanghai hengrui pharmaceutical co ltd 2016-06-01 CN disclosed
WO-2015158204-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREFOR AND MEDICINAL APPLICATION THEREOF 上海恒瑞医药有限公司 2015-10-22 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 (2 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-10081629-B2 Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof PTGES, PTGS1, PTGIS CYP19A1 276/4885MEN1 4118/4885KMT2A 3004/4885
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF PTGES, PTGS1, PTGIS CYP19A1 276/4885MEN1 4118/4885KMT2A 3004/4885

“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.