SCHEMBL2828889

SCHEMBL2828889

Cc1ccccc1Nc1scnc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
CSNK2A1 P68400 2/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1B10 O60218 1/20 0.41
TRPA1 O75762 1/20 0.41
ABCB11 O95342 1/20 0.41
DHFR P00374 1/20 0.41
LMNA P02545 1/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 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
SCHEMBL18065803 0.82 KDM4E (0.42) KDM4ECSNK2A1CSNK2A2CSNK2BNPC1
SCHEMBL2831043 0.82 ALDH1A1 (0.49) MEN1KMT2ARAB9AHPGDALDH1A1
SCHEMBL2828775 0.82 KDM4E (0.47) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL2826260 0.82 KDM4E (0.55) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL2826686 0.79 KDM4E (0.54) KDM4ECSNK2A1CSNK2A2CSNK2B
SCHEMBL2827700 0.77 MEN1 (0.49) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL2829269 0.77 CSNK2A1 (0.43) KDM4ECSNK2A1NPC1RAB9ALMNA
SCHEMBL2828019 0.76 SLC13A5 (0.40) KDM4ENPC1RAB9AALDH1A1TDP1
Bicarbonate SCHEMBL31082205 0.72 RAB9A (0.61) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL1969771 0.72 KDM4E (0.63) KDM4EKMT2ANPC1RAB9AHPGD

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 10 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 claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed
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 KDM4E 1059/4885CSNK2A1 568/4885CSNK2A2 560/4885

“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.