SCHEMBL17199066

SCHEMBL17199066

O=[N+]([O-])c1ccc2nc(-c3ccc(C(F)(F)F)cc3)sc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PDK1 Q15118 1/20 0.52
ILK Q13418 1/20 0.51
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
RORC P51449 1/20 0.47

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
SCHEMBL11973034 0.92 APP (0.61) APPMMP2MMP9MMP8MMP13
SCHEMBL1996999 0.88 APP (0.73) APPMMP2MMP9MMP8MMP13
SCHEMBL10032126 0.83 MAPT (0.70) APPMMP2MMP9MMP8MMP13
SCHEMBL3196637 0.83 APP (0.62) APPMMP2MMP9MMP8MMP13
SCHEMBL2136576 0.82 APP (0.69) APPMMP2MMP9MMP8MMP13
SCHEMBL2628260 0.82 APP (0.73) APPMMP2MMP9MMP8MMP13
SCHEMBL4298752 0.81 SMN1; SMN2 (0.60) APPMMP2MMP9MMP8MMP13
SCHEMBL31592008 0.80 APP (0.66) APPMMP2MMP9MMP8MMP13
SCHEMBL2461783 0.80 APP (0.66) APPMMP2MMP9MMP8MMP13
SCHEMBL17198993 0.80 MAPT (0.74) APPMMP9MMP8SMN1; SMN2ALDH1A1

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
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
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 APP 2211/4885MMP2 997/4885MMP9 1062/4885
US-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF PTGES, PTGS1, PTGIS APP 2211/4885MMP2 997/4885MMP9 1062/4885

“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.