SCHEMBL3584282

SCHEMBL3584282

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4ccnc4CO)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
CPT1A P50416 9/20 0.33
CPT2 P23786 5/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GRM5 P41594 1/20 0.32
ALK Q9UM73 1/20 0.31
FPR2 P25090 1/20 0.31
CPT1B Q92523 4/20 0.31
KMT2A Q03164 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
LMNA P02545 1/20 0.30
PKM P14618 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
SCHEMBL3581779 0.90 TLR9 (0.34) KCNH2CPT1ACPT2GABRA1GABRG2
SCHEMBL3588046 0.88 ALK (0.34) CPT1ACPT2GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL3588301 0.88 CPT1A (0.34) CPT1ACPT2GABRA1GABRG2GABRB3
SCHEMBL3576129 0.86 KDM4E (0.34) CPT1ACPT2FPR2CPT1B
SCHEMBL15451262 0.86 KCNH2 (0.35) KCNH2CPT1ACPT2GABRA1GABRG2
SCHEMBL13031465 0.85 KCNH2 (0.35) KCNH2ALKKMT2ALMNAPKM
SCHEMBL3585404 0.85 CPT1A (0.32) CPT1ACPT2GABRA1GABRG2GABRB3
SCHEMBL3590320 0.85 IRAK4 (0.33) KCNH2CPT1ACPT2GABRA1GABRG2
SCHEMBL3593480 0.84 CPT1A (0.35) KCNH2CPT1ACPT2GABRA1GABRG2
SCHEMBL3592264 0.84 CPT1A (0.33) CPT1ACPT2GABRA1GABRG2GABRB3

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 KCNH2 592/4885CPT1A 1529/4885CPT2 3009/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 KCNH2 2030/4885CPT1A 1947/4885CPT2 2552/4885

“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.