SCHEMBL17199136

SCHEMBL17199136

Nc1ccc2nc(-c3ccc(C(F)(F)F)cc3)oc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.74
RAB9A P51151 11/20 0.74
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
KDM4E B2RXH2 6/20 0.74
ALDH1A1 P00352 6/20 0.74
MAPT P10636 6/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
HPGD P15428 4/20 0.74
GLA P06280 1/20 0.74
GAA P10253 1/20 0.74
GFER P55789 2/20 0.58
RXFP1 Q9HBX9 2/20 0.56
ATM Q13315 1/20 0.53
PIK3CB P42338 1/20 0.52
TP53 P04637 3/20 0.51
HSD17B10 Q99714 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51

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
SCHEMBL2247289 0.88 RAB9A (0.74) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL18935939 0.88 TLR9 (0.55) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2491134 0.87 RAB9A (0.96) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL16894063 0.87 RAB9A (0.72) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL25611330 0.87 RAB9A (0.72) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2245075 0.86 RAB9A (1.00) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL25026542 0.84 HDAC3 (0.60) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL28292707 0.84 RAB9A (0.96) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL2245453 0.82 NPC1 (0.67) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL14243239 0.82 HDAC6 (0.53) NPC1RAB9AMEN1KMT2AKDM4E

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 5 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
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 NPC1 1063/4885RAB9A 2347/4885MEN1 4118/4885

“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.