SCHEMBL2828119

SCHEMBL2828119

CC(=O)OCc1cccc(NC(=O)c2nc(C)sc2Br)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.48
PDE5A O76074 3/20 0.39
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
PDE10A Q9Y233 1/20 0.36
ATR Q13535 1/20 0.35

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
SCHEMBL2827669 0.81 GRM5 (0.65) GRM5CYP1A2CYP2C9PDE10AATR
SCHEMBL2825932 0.79 GRM5 (0.79) GRM5ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL2827810 0.74 GRM5 (0.41) GRM5ALDH1A1HSD17B10
SCHEMBL2828644 0.70 CCR2 (0.40) PDE5ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL946915 0.69 ALDH1A1 (0.46) GRM5CHRNB2CHRNA4ALDH1A1HPGD
SCHEMBL1558091 0.68 ALDH1A1 (0.47) GRM5ALDH1A1HSD17B10CYP1A2PDE10A
SCHEMBL6984472 0.65 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1A2
SCHEMBL6971769 0.65 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1A2
SCHEMBL13211474 0.65 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1A2
SCHEMBL13263627 0.64 L3MBTL1 (0.37) ALDH1A1HPGDCYP1A2

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 GRM5 4/4885PDE5A 1546/4885CHRNB2 154/4885

“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.