SCHEMBL3045494

SCHEMBL3045494

Cc1nc(-c2cncc(I)n2)sc1C(=O)O.NCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 5/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 3/20 0.43
SCD O00767 1/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 3/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TARBP2 Q15633 1/20 0.38
PPARA Q07869 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
XDH P47989 1/20 0.34

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
SCHEMBL3045493 0.81 SCD (0.62) SCDPPARAMAPT
SCHEMBL3048569 0.77 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AKDM4EGAASCD
SCHEMBL27738235 0.75 RAB9A (0.72) SMN1; SMN2RAB9AKDM4EGAAKMT2A
SCHEMBL3436647 0.73 RAB9A (0.77) SMN1; SMN2RAB9AKDM4EGAAKMT2A
SCHEMBL3040459 0.72 SCD (0.77) SMN1; SMN2GAASCDNPC1ALDH1A1
SCHEMBL18320904 0.72 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AKDM4EGAAKMT2A
SCHEMBL3053065 0.70 SCD (0.62) SMN1; SMN2RAB9AKDM4EGAASCD
SCHEMBL3045496 0.70 RAB9A (0.49) SMN1; SMN2RAB9AKDM4EGAASCD
SCHEMBL3045647 0.69 TARBP2 (0.44) SMN1; SMN2RAB9AKDM4EGAASCD
SCHEMBL8867232 0.69 TARBP2 (0.65) SMN1; SMN2RAB9AKDM4EGAANPC1

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-2086970-B1 2-(PYRAZIN-2-YL)-THIAZOLE AND 2-(1H PYRAZOL-3-YL)-THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS NOVARTIS AG (CH) 2014-02-26 EP disclosed
US-8314138-B2 Pyrazole derivative as SCD1 inhibitors for the treatment of diabetes NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20100239520-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2086970-A2 2-(PYRAZIN-2-YL)-THIAZOLE AND 2-(1H PYRAZOL-3-YL)-THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS Novartis AG (CH) 2009-08-12 EP disclosed
WO-2008024390-A2 2- (PYRAZIN-2-YL) -THIAZOLE AND 2- (1H-PYRAZ0L-3-YL) -THIAZOLE DERIVATIVES AS WELL AS RELATED COMPOUNDS AS STEAROYL-COA DESATURASE (SCD) INHIBITORS FOR THE TREATMENT OF METABOLIC, CARDIOVASCULAR AND OTHER DISORDERS NOVARTIS AG (CH) 2008-02-28 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-20100239520-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 SMN1; SMN2 3581/4885RAB9A 4305/4885KDM4E 683/4885

“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.