SCHEMBL4315545

SCHEMBL4315545

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4c(=O)[nH]c5ccccc54)CC3)sc2Cl)cc1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.42
KCNH2 Q12809 1/20 0.42
HSD11B1 P28845 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2B Q13224 4/20 0.36
OPRK1 P41145 1/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
CHRM5 P08912 1/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
LMNA P02545 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
SCHEMBL13031300 0.83 CXCR3 (0.43) CXCR3KCNH2HSD11B1SMN1; SMN2GRIN1
SCHEMBL3578439 0.83 CXCR3 (0.40) CXCR3KCNH2HSD11B1SMN1; SMN2GRIN1
SCHEMBL4309578 0.82 CXCR3 (0.40) CXCR3KCNH2HSD11B1SMN1; SMN2GRIN1
SCHEMBL4324258 0.81 CXCR3 (0.41) CXCR3KCNH2HSD11B1SMN1; SMN2GRIN1
SCHEMBL4310807 0.81 PDE4B (0.46) CXCR3KCNH2SMN1; SMN2UBE2MDCUN1D1
SCHEMBL13807219 0.77 HTT (0.42) UBE2MDCUN1D1MAPT
SCHEMBL4314344 0.77 CXCR3 (0.47) CXCR3KCNH2
SCHEMBL14495344 0.76 UBE2M (0.36) UBE2MDCUN1D1TP53MAPTPOLB
SCHEMBL4314441 0.76 CCR1 (0.34) CXCR3KCNH2UBE2MDCUN1D1TP53
SCHEMBL4317943 0.75 TP53 (0.33) CXCR3KCNH2UBE2MDCUN1D1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US claimed
EP-1957076-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-08-20 EP claimed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 WO claimed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 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-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 CXCR3 1/4885KCNH2 2323/4885HSD11B1 924/4885

“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.