SCHEMBL3578439

SCHEMBL3578439

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4c(=O)[nH]c5ccccc54)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.40
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
GRIN1 Q05586 3/20 0.36
GRIN2B Q13224 3/20 0.36
HSD11B1 P28845 5/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.34
CPT2 P23786 1/20 0.34
CPT1A P50416 1/20 0.34
HTR7 P34969 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
CECR2 Q9BXF3 1/20 0.34

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
SCHEMBL3586267 0.86 CXCR3 (0.42) CXCR3SMN1; SMN2GRIN1GRIN2BHTT
SCHEMBL13031300 0.85 CXCR3 (0.43) CXCR3KCNH2SMN1; SMN2MAPTGRIN1
SCHEMBL3587157 0.85 CXCR3 (0.41) CXCR3MAPTHTT
SCHEMBL3582567 0.83 MAPT (0.39) MAPT
SCHEMBL4315545 0.83 CXCR3 (0.42) CXCR3KCNH2SMN1; SMN2MAPTGRIN1
SCHEMBL3589593 0.82 LMNA (0.40) CXCR3KCNH2SMN1; SMN2HTTCPT2
SCHEMBL3576341 0.81 PDE4B (0.34) CPT2CPT1A
SCHEMBL3579069 0.81 GABRA1 (0.34) MAPTCPT2CPT1A
SCHEMBL3593480 0.80 CPT1A (0.35) KCNH2CPT2CPT1A
SCHEMBL3592264 0.80 CPT1A (0.33) GRIN1GRIN2BCPT2CPT1A

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 CXCR3 1/4885KCNH2 2030/4885SMN1; SMN2 4711/4885

“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.