SCHEMBL1531268

SCHEMBL1531268

CCOC(=O)c1sc(Br)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.63
RAB9A P51151 6/20 0.63
KDM4E B2RXH2 6/20 0.63
NPC1 O15118 5/20 0.63
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
RECQL P46063 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 9/20 0.58
HPGD P15428 5/20 0.58
HSD17B10 Q99714 5/20 0.58
TP53 P04637 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56

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
SCHEMBL1976780 0.83 ALOX15 (0.58) MAPTRAB9AKDM4ENPC1MEN1
SCHEMBL12483440 0.83 GSK3B (0.53) MAPTRAB9AKDM4ENPC1MEN1
SCHEMBL10712475 0.83 MAPT (0.61) MAPTRAB9AKDM4ENPC1MEN1
SCHEMBL38152 0.81 MAPT (0.60) MAPTRAB9AKDM4ENPC1MEN1
SCHEMBL102283 0.81 KDM4E (0.53) MAPTRAB9AKDM4ENPC1MEN1
SCHEMBL7842072 0.79 ALDH1A1 (0.62) MAPTRAB9AKDM4ENPC1MEN1
SCHEMBL15962456 0.79 ALOX15 (0.47) MAPTRAB9AKDM4ENPC1MEN1
SCHEMBL8815118 0.78 MAPT (0.56) MAPTRAB9AKDM4ENPC1MEN1
SCHEMBL6119541 0.78 ALDH1A1 (0.56) MAPTRAB9AKDM4ENPC1MEN1
SCHEMBL1883586 0.78 MAPT (0.56) MAPTRAB9AKDM4ENPC1MEN1

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
US-20160176856-A1 Compositions and Methods for the Treatment of Norovirus Infection UNIV INDIANA RES & TECH CORP (US) 2016-06-23 US disclosed
US-9296719-B2 Compositions and methods for the treatment of norovirus infection INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-03-29 US disclosed
US-20140235683-A1 Compositions and Methods for the Treatment of Norovirus Infection ALIOS BIOPHARMA INC. (US) 2014-08-21 US disclosed
US-8618115-B2 Substituted thieno[3,2-d]pyrimidinones as MCHR1 antagonists and methods for using them BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
EP-1948665-B1 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2298776-A1 Thienopyrimidinone derivatives as melanin concentrating hormone receptor-1 antagonists Bristol-Myers Squibb Company (US) 2011-03-23 EP disclosed
EP-1948665-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2008-07-30 EP disclosed
WO-2007050726-A2 THIENOPYRIMIDINONE DERIVATIVES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-03 WO disclosed
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US 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 (3 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-20160176856-A1 Compositions and Methods for the Treatment of Norovirus Infection NOP2, TUBB, TUBA1C MAPT 1992/4885RAB9A 3829/4885KDM4E 4225/4885
US-20140235683-A1 Compositions and Methods for the Treatment of Norovirus Infection NOP2, TUBB, TUBA1C MAPT 1992/4885RAB9A 3829/4885KDM4E 4225/4885
US-20070093509-A1 Non-basic melanin concentrating hormone receptor-1 antagonists MCHR1, MCHR2, MC1R MAPT 1990/4885RAB9A 2509/4885KDM4E 2607/4885

“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.