SCHEMBL3593336

SCHEMBL3593336

CC(C)(C)c1cc(SC(F)(F)F)cc(-c2nc(C3CCN(C(=O)Cn4cnc5ccccc54)CC3)cs2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.39
LMNA P02545 1/20 0.38
CXCR3 P49682 4/20 0.37
F2 P00734 1/20 0.35
MAPT P10636 1/20 0.35
KCNH2 Q12809 2/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
ORAI1 Q96D31 1/20 0.34
GRIN2B Q13224 2/20 0.33
CYP2C9 P11712 1/20 0.33
GRIN1 Q05586 1/20 0.33
GAA P10253 1/20 0.33
MGLL Q99685 1/20 0.33
CPT1A P50416 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL3576128 0.90 CXCR3 (0.45) CXCR3KCNH2
SCHEMBL3579884 0.88 MAPT (0.41) LMNACXCR3MAPTTSHRUSP2
SCHEMBL13072303 0.87 MC4R (0.40) MC4RLMNACXCR3F2KCNH2
SCHEMBL3578687 0.84 CXCR3 (0.38) CXCR3KCNH2
SCHEMBL3589593 0.81 LMNA (0.40) MC4RLMNACXCR3F2KCNH2
SCHEMBL3583159 0.81 CXCR3 (0.38) CXCR3F2SMN1; SMN2GRIN2BCPT1A
SCHEMBL3579769 0.81 CXCR3 (0.38) CXCR3F2GRIN2BCPT1A
SCHEMBL3576355 0.81 CXCR3 (0.50) CXCR3KCNH2
SCHEMBL3589904 0.81 CXCR3 (0.37) CXCR3F2TSHRUSP2CPT1A
SCHEMBL3581758 0.78 SHMT1 (0.32) LMNAMAPTHTTSMN1; SMN2TSHR

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 1 patent. 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

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 MC4R 704/4885LMNA 4877/4885CXCR3 1/4885

“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.