SCHEMBL4504641

SCHEMBL4504641

CC(=O)c1oc2ccc(Br)cc2c1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.65
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
MAPT P10636 3/20 0.65
ADORA2A P29274 1/20 0.65
CASP1 P29466 1/20 0.65
KDM4E B2RXH2 5/20 0.61
HSD17B10 Q99714 4/20 0.61
TP53 P04637 2/20 0.61
CA12 O43570 3/20 0.52
CA9 Q16790 3/20 0.52
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
AHR P35869 1/20 0.49
CASP6 P55212 1/20 0.48
KCNH2 Q12809 1/20 0.48
TSHR P16473 2/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL1850280 0.85 KDM4E (0.67) SMN1; SMN2NPC1RAB9AMAPTADORA2A
SCHEMBL4505165 0.81 CA12 (0.57) SMN1; SMN2NPC1RAB9AMAPTADORA2A
SCHEMBL15766218 0.81 KDM4E (0.74) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL3508906 0.80 KDM4E (0.57) SMN1; SMN2NPC1RAB9AMAPTADORA2A
SCHEMBL13102768 0.80 KDM4E (0.67) SMN1; SMN2NPC1RAB9AMAPTADORA2A
SCHEMBL13102601 0.79 MAPT (1.00) SMN1; SMN2NPC1RAB9AMAPTADORA2A
SCHEMBL15766209 0.78 KDM4E (0.76) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL4496319 0.78 RAB9A (0.54) SMN1; SMN2NPC1RAB9AMAPTADORA2A
SCHEMBL30168106 0.76 KDM4E (0.68) SMN1; SMN2NPC1RAB9AMAPTCASP1
SCHEMBL6857835 0.76 KDM4E (0.68) SMN1; SMN2NPC1RAB9AMAPTCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740734-B1 HCV PROTEASE INHIBITORS SHANGHAI TANGRUN PHARMACEUTICALS CO LTD (CN) 2017-09-06 EP disclosed
EP-2740734-B1 HCV PROTEASE INHIBITORS SHANGHAI TANGRUN PHARMACEUTICALS CO LTD (CN) 2017-09-06 EP disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 US disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 US disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 US disclosed
EP-2740734-A1 HCV PROTEASE INHIBITORS Shanghai Tangrun Pharmaceuticals, Co. Ltd (CN) 2014-06-11 EP disclosed
EP-2740734-A1 HCV PROTEASE INHIBITORS Shanghai Tangrun Pharmaceuticals, Co. Ltd (CN) 2014-06-11 EP disclosed
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-20060194851-A1 Benzofuran compound and medicinal composition containing the same NEW INDUSTRY RESEARCH ORGANIZATION, THE (JP) 2006-08-31 US disclosed
EP-1627873-A1 BENZOFURAN COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME The New Industry Research Organization (JP) 2006-02-22 EP 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-20060194851-A1 Benzofuran compound and medicinal composition containing the same LTB4R2, LTC4S, LTB4R SMN1; SMN2 2975/4885NPC1 1377/4885RAB9A 4698/4885
US-20140163219-A1 HCV Protease Inhibitors CPN1, CTRL, CTSZ SMN1; SMN2 3891/4885NPC1 778/4885RAB9A 1821/4885

“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.