SCHEMBL3582567

SCHEMBL3582567

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
BRD4 O60885 4/20 0.38
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 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
SCHEMBL3587157 0.91 CXCR3 (0.41) MAPTBRD4TP53USP2TSHR
SCHEMBL13031485 0.86 LMNA (0.38) MAPTBRD4TP53NPSR1USP2
SCHEMBL3589593 0.85 LMNA (0.40) TP53USP2TSHRUBE2MDCUN1D1
SCHEMBL3586267 0.85 CXCR3 (0.42) TP53LMNAALDH1A1
SCHEMBL3578439 0.83 CXCR3 (0.40) MAPT
SCHEMBL3584282 0.82 KCNH2 (0.34) LMNA
SCHEMBL3583237 0.81 CPT1A (0.34) LMNA
SCHEMBL3590320 0.80 IRAK4 (0.33) TP53LMNA
SCHEMBL3587639 0.80 CXCR3 (0.47)
SCHEMBL3583234 0.80 CPT1A (0.35) 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 MAPT 4292/4885BRD4 1048/4885TP53 2604/4885

“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.