SCHEMBL2829088

SCHEMBL2829088

CCOC(=O)c1ncsc1Nc1cccc(C(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 1/20 0.51
TP53 P04637 3/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ILK Q13418 1/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 4/20 0.46
CDC25B P30305 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 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
SCHEMBL2831118 0.85 MAPT (0.57) SMN1; SMN2NPC1RAB9AKDM4EMAPK1
SCHEMBL2827633 0.85 HTT (0.53) SMN1; SMN2NPC1RAB9AKDM4ETP53
SCHEMBL2827894 0.84 ILK (0.66) SMN1; SMN2NPC1RAB9AKDM4ETP53
SCHEMBL2828075 0.84 EGFR (0.57) SMN1; SMN2NPC1RAB9AKDM4ETP53
SCHEMBL2828460 0.83 AKR1C3 (0.52) SMN1; SMN2NPC1RAB9AALOX15HSD17B10
SCHEMBL2832046 0.82 SETD7 (0.49) SMN1; SMN2NPC1RAB9AKDM4EALOX15
SCHEMBL2826575 0.79 NAMPT (0.54) SMN1; SMN2NPC1RAB9AKDM4EMAPK1
SCHEMBL2829177 0.77 KDM4E (0.54) SMN1; SMN2NPC1RAB9AKDM4ETP53
SCHEMBL2828184 0.77 MAPT (0.44) SMN1; SMN2NPC1RAB9AKDM4EMAPK1
SCHEMBL2829714 0.76 KDM4E (0.44) SMN1; SMN2NPC1RAB9AKDM4ETP53

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-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 SMN1; SMN2 3071/4885NPC1 2568/4885RAB9A 3231/4885

“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.