SCHEMBL3585746

SCHEMBL3585746

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4c(C)nc(Cl)c4C)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 6/20 0.33
CPT2 P23786 4/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
CPT1B Q92523 2/20 0.33
SHMT1 P34896 1/20 0.32
CCR5 P51681 1/20 0.32
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR35 Q9HC97 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3584110 0.86 IRAK4 (0.34) CPT1ACPT2IRAK4CPT1BSHMT1
SCHEMBL3583234 0.86 CPT1A (0.35) CPT1ACPT2IRAK4CPT1BLMNA
SCHEMBL13031262 0.85 NPY5R (0.35) KCNH2
SCHEMBL3587157 0.85 CXCR3 (0.41) LMNAALDH1A1MEN1KMT2AHPGD
SCHEMBL3581627 0.84 IRAK4 (0.33) CPT1ACPT2IRAK4CPT1BKCNH2
SCHEMBL3576143 0.84 CXCR3 (0.36) CPT1ACPT2IRAK4KCNH2
SCHEMBL3583237 0.84 CPT1A (0.34) CPT1ACPT2IRAK4CPT1BLMNA
SCHEMBL3581779 0.84 TLR9 (0.34) CPT1ACPT2IRAK4CPT1BKCNH2
SCHEMBL3588834 0.83 GRIN1 (0.35) CPT1ACPT2IRAK4CPT1BLMNA
SCHEMBL3590320 0.83 IRAK4 (0.33) CPT1ACPT2IRAK4CPT1BSHMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US claimed
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 CPT1A 1947/4885CPT2 2552/4885IRAK4 367/4885

“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.