SCHEMBL3586267

SCHEMBL3586267

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4c(=O)n(C)c5ccccc54)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 15/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 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
SCHEMBL3578439 0.86 CXCR3 (0.40) CXCR3HTTSMN1; SMN2GRIN1GRIN2B
SCHEMBL3587157 0.86 CXCR3 (0.41) CXCR3LMNAHTTALDH1A1TP53
SCHEMBL13031306 0.85 GRIN1 (0.46) CXCR3LMNAHTTALDH1A1TP53
SCHEMBL3582567 0.85 MAPT (0.39) LMNAALDH1A1TP53
SCHEMBL3588834 0.84 GRIN1 (0.35) LMNAALDH1A1GRIN1GRIN2B
SCHEMBL3589593 0.84 LMNA (0.40) CXCR3LMNAHTTALDH1A1TP53
SCHEMBL3581098 0.83 CPT1A (0.33) LMNAALDH1A1SMN1; SMN2GRIN1GRIN2B
SCHEMBL3580754 0.82 GABRA1 (0.34) LMNAALDH1A1GRIN1GRIN2B
SCHEMBL3593480 0.82 CPT1A (0.35) ALDH1A1
SCHEMBL3592264 0.82 CPT1A (0.33) LMNAALDH1A1GRIN1GRIN2B

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 2 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 claimed
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 1/4885LMNA 4877/4885HTT 3557/4885

“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.