SCHEMBL3585326

SCHEMBL3585326

CCn1c(C)cn(CC(=O)N2CCC(c3csc(-c4cc(C(C)(C)C)c(OC)c(C(C)(C)C)c4)n3)CC2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
CPT2 P23786 2/20 0.31
CPT1A P50416 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
FPR2 P25090 1/20 0.31
CPT1B Q92523 1/20 0.30

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
SCHEMBL3595199 0.94 GRIN1 (0.34) KDM4EIRAK4GRIN1GRIN2BCPT2
SCHEMBL3592264 0.88 CPT1A (0.33) KDM4EGRIN1GRIN2BCPT2CPT1A
SCHEMBL3582566 0.88 GRIN2B (0.33) KDM4EIRAK4GRIN1GRIN2BCPT2
SCHEMBL3588834 0.87 GRIN1 (0.35) KDM4EIRAK4GRIN1GRIN2BCPT2
SCHEMBL3581627 0.85 IRAK4 (0.33) KDM4EIRAK4GRIN1GRIN2BCPT2
SCHEMBL3576368 0.85 KDM4E (0.35) KDM4EGRIN1GRIN2BCPT2CPT1A
SCHEMBL13031295 0.85 GRIN2B (0.34) GRIN1GRIN2B
SCHEMBL3583149 0.85 IRAK4 (0.32) KDM4EIRAK4GRIN2BCPT2CPT1A
SCHEMBL3589601 0.85 CPT1A (0.33) IRAK4GRIN1GRIN2BCPT2CPT1A
SCHEMBL3593480 0.85 CPT1A (0.35) KDM4ECPT2CPT1AGABRA1GABRG2

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 KDM4E 3447/4885IRAK4 367/4885GRIN1 571/4885

“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.