SCHEMBL3529066

SCHEMBL3529066

CCOC(=O)c1nc(C2CCC2)sc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 9/20 0.45
GAA P10253 7/20 0.45
MAPT P10636 7/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FHIT P49789 1/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 4/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 3/20 0.40
ALOX12 P18054 1/20 0.40
CSNK1D P48730 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4963424 0.97 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDGAAMAPT
SCHEMBL2826262 0.94 ALDH1A1 (0.51) ALDH1A1CYP1A2HPGDGAAMAPT
SCHEMBL22455537 0.87 GAA (0.48) ALDH1A1CYP1A2HPGDGAAMAPT
SCHEMBL22440662 0.84 MEN1 (0.42) ALDH1A1CYP1A2HPGDGAAMAPT
SCHEMBL22455545 0.81 GAA (0.50) ALDH1A1CYP1A2HPGDGAAMAPT
SCHEMBL22455546 0.78 ALDH1A1 (0.43) ALDH1A1CYP1A2HPGDGAAMAPT
SCHEMBL22440659 0.78 KMT2A (0.44) ALDH1A1CYP1A2HPGDGAAMAPT
SCHEMBL2824927 0.77 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2HSD17B10TSHR
SCHEMBL1194383 0.77 ALDH1A1 (0.58) ALDH1A1CYP1A2HPGDGAAMAPT
SCHEMBL18395215 0.76 ALDH1A1 (0.44) ALDH1A1HPGDGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 913/4885CYP1A2 3078/4885HPGD 3995/4885

“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.