SCHEMBL17199258

SCHEMBL17199258

O=[N+]([O-])c1ccc2nc(-c3ccc(C(F)(F)F)cc3)oc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.70
NPC1 O15118 8/20 0.70
MAPT P10636 6/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
ALDH1A1 P00352 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
MMP2 P08253 3/20 0.63
MMP9 P14780 3/20 0.63
MMP8 P22894 3/20 0.63
MMP13 P45452 3/20 0.63
MCL1 Q07820 1/20 0.56
ATM Q13315 1/20 0.56
LMNA P02545 1/20 0.56
CASP3 P42574 1/20 0.56
HSPD1 P10809 2/20 0.48
PTPN2 P17706 2/20 0.48
PTPN1 P18031 2/20 0.48
PTPN5 P54829 2/20 0.48

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
SCHEMBL3202508 0.90 RAB9A (0.70) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL16894054 0.89 RAB9A (0.69) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL10943282 0.88 RAB9A (0.83) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4153246 0.83 RAB9A (0.75) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2247322 0.83 RAB9A (0.75) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2245484 0.83 MMP2 (0.85) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2246143 0.82 RAB9A (1.00) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL18935939 0.82 TLR9 (0.55) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL19380020 0.80 RAB9A (0.70) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2245249 0.80 NPC1 (1.00) RAB9ANPC1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF PTGES, PTGS1, PTGIS RAB9A 2347/4885NPC1 1063/4885MAPT 3600/4885

“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.