SCHEMBL13031300

SCHEMBL13031300

COc1c(C(C)(C)C)cc(-c2ncc(C3CCN(C(=O)Cn4c(=O)[nH]c5ccccc54)CC3)s2)cc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN1 Q05586 12/20 0.40
GRIN2B Q13224 12/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
OPRK1 P41145 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
CECR2 Q9BXF3 1/20 0.36
HSD11B1 P28845 2/20 0.36
MAPT P10636 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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
SCHEMBL13031306 0.86 GRIN1 (0.46) CXCR3GRIN1GRIN2BSMN1; SMN2
SCHEMBL3578439 0.85 CXCR3 (0.40) CXCR3KCNH2GRIN1GRIN2BSMN1; SMN2
SCHEMBL13031416 0.84 CXCR3 (0.41) CXCR3MAPT
SCHEMBL4315545 0.83 CXCR3 (0.42) CXCR3KCNH2GRIN1GRIN2BSMN1; SMN2
SCHEMBL13031408 0.83 LMNA (0.41) CXCR3KCNH2GRIN2BSMN1; SMN2
SCHEMBL13031485 0.82 LMNA (0.38) MAPT
SCHEMBL13031195 0.81 PTGS2 (0.36) GRIN1GRIN2BSMN1; SMN2
SCHEMBL13031454 0.81 PTGS2 (0.35) KCNH2GRIN1GRIN2BMAPT
SCHEMBL13031140 0.81 PTGS2 (0.36) KCNH2GRIN1GRIN2B
SCHEMBL13031159 0.80 GRIN2B (0.35) GRIN1GRIN2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 2030/4885GRIN1 571/4885

“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.