SCHEMBL2828016

SCHEMBL2828016

CCOC(=O)c1ncsc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.44
NLRP3 Q96P20 1/20 0.44
ILK Q13418 1/20 0.43
MAPT P10636 7/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
BRD4 O60885 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP1A2 P05177 1/20 0.40
LMNA P02545 1/20 0.40
FTO Q9C0B1 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
SCHEMBL2829301 0.85 NLRP3 (0.44) NLRP3ILKMAPTNPC1RAB9A
SCHEMBL2831118 0.81 MAPT (0.57) ILKMAPTNPC1RAB9AL3MBTL1
SCHEMBL2827894 0.80 ILK (0.66) ILKMAPTNPC1RAB9AALDH1A1
SCHEMBL2828722 0.79 KDM4E (0.45) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL2831043 0.78 ALDH1A1 (0.49) METTL3ILKMAPTRAB9AALDH1A1
SCHEMBL24073794 0.77 MAPT (0.45) ILKMAPTNPC1ALDH1A1MAPK1
SCHEMBL31272459 0.77 MAPT (0.45) ILKMAPTNPC1ALDH1A1MAPK1
SCHEMBL2825838 0.77 BRD4 (0.43) ILKMAPTNPC1RAB9AALDH1A1
SCHEMBL2827633 0.77 HTT (0.53) ILKMAPTNPC1RAB9AL3MBTL1
SCHEMBL2825669 0.76 TSHR (0.44) ILKMAPTNPC1RAB9AALDH1A1

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 METTL3 2403/4885NLRP3 2474/4885ILK 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.