SCHEMBL3576341

SCHEMBL3576341

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4cc[nH]c4=O)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.34
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CPT1A P50416 3/20 0.32
CPT2 P23786 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
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
IRAK4 Q9NWZ3 1/20 0.31
CPT1B Q92523 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
SCHEMBL3593480 0.86 CPT1A (0.35) KDM4EALDH1A1HPGDNPSR1CPT1A
SCHEMBL3592264 0.86 CPT1A (0.33) KDM4EALDH1A1HPGDNPSR1CPT1A
SCHEMBL3581098 0.86 CPT1A (0.33) KDM4EALDH1A1HPGDNPSR1CPT1A
Potassium Ion SCHEMBL3579672 0.85 CPT1A (0.33) KDM4EALDH1A1HPGDNPSR1CPT1A
SCHEMBL3581779 0.85 TLR9 (0.34) CPT1ACPT2GABRA1GABRG2GABRB3
SCHEMBL13031195 0.85 PTGS2 (0.36) PDE4BPTGS2KDM4EALDH1A1KMT2A
SCHEMBL3579069 0.84 GABRA1 (0.34) PDE4BPTGS2KDM4EALDH1A1HPGD
SCHEMBL3581627 0.84 IRAK4 (0.33) PTGS2KDM4ECPT1ACPT2GABRA1
SCHEMBL3576368 0.83 KDM4E (0.35) KDM4EALDH1A1HPGDNPSR1CPT1A
SCHEMBL3584282 0.83 KCNH2 (0.34) CPT1ACPT2KMT2AGABRA1GABRG2

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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US claimed
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
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO 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 (2 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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 PDE4B 1819/4885PTGS2 2833/4885KDM4E 1248/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 PDE4B 1863/4885PTGS2 311/4885KDM4E 3447/4885

“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.