SCHEMBL2829950

SCHEMBL2829950

CCOC(=O)c1nc(CC)sc1Nc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
GRM5 P41594 5/20 0.47
ILK Q13418 1/20 0.47
HPGD P15428 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CDC7 O00311 2/20 0.43
DBF4 Q9UBU7 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2828742 0.91 ALDH1A1 (0.48) ALDH1A1GRM5ILKHPGDMEN1
SCHEMBL2828242 0.90 ALDH1A1 (0.47) ALDH1A1GRM5ILKHPGDMEN1
SCHEMBL2826958 0.88 GRM5 (0.60) ALDH1A1GRM5ILKHPGDMEN1
SCHEMBL2829584 0.88 GRM5 (0.46) ALDH1A1GRM5ILKHPGDMEN1
SCHEMBL2826243 0.86 GRM5 (0.48) ALDH1A1GRM5MEN1KMT2AMAPT
SCHEMBL2832750 0.84 ALDH1A1 (0.48) ALDH1A1GRM5ILKHPGDMEN1
SCHEMBL2833095 0.83 ALDH1A1 (0.46) ALDH1A1GRM5ILKHPGDMEN1
SCHEMBL2828960 0.81 ALDH1A1 (0.45) ALDH1A1GRM5ILKHPGDMEN1
SCHEMBL2826575 0.80 NAMPT (0.54) ALDH1A1GRM5ILKHPGDMEN1
SCHEMBL2827533 0.77 GRM5 (0.64) ALDH1A1GRM5HPGDMEN1KMT2A

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 ALDH1A1 913/4885GRM5 4/4885ILK 4686/4885

“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.