SCHEMBL3587157

SCHEMBL3587157

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4c(C)nc5ccccc54)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.41
MAPT P10636 5/20 0.40
BRD4 O60885 4/20 0.39
TP53 P04637 2/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.36
GSK3B P49841 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL3582567 0.91 MAPT (0.39) MAPTBRD4TP53TSHRLMNA
SCHEMBL3589593 0.87 LMNA (0.40) CXCR3TP53TSHRLMNAALDH1A1
SCHEMBL3586267 0.86 CXCR3 (0.42) CXCR3TP53LMNAALDH1A1HTT
SCHEMBL13031416 0.86 CXCR3 (0.41) CXCR3MAPTBRD4TP53TSHR
SCHEMBL3585746 0.85 CPT1A (0.33) LMNAMEN1ALDH1A1HPGDKMT2A
SCHEMBL3578439 0.85 CXCR3 (0.40) CXCR3MAPTHTT
SCHEMBL3583234 0.84 CPT1A (0.35) LMNA
SCHEMBL3576143 0.82 CXCR3 (0.36) CXCR3TP53
SCHEMBL3581627 0.82 IRAK4 (0.33) LMNAUBE2MDCUN1D1
SCHEMBL3583237 0.82 CPT1A (0.34) LMNA

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 1/4885MAPT 4292/4885BRD4 1048/4885

“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.