SCHEMBL3588046

SCHEMBL3588046

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4ccnc4C(F)(F)F)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.34
CPT1A P50416 6/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN1 Q05586 1/20 0.33
CPT2 P23786 2/20 0.32
LMNA P02545 1/20 0.31
PIK3CD O00329 2/20 0.31
MAPT P10636 1/20 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

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) CPT1AGRIN2BCPT2GABRA1GABRG2
SCHEMBL3584282 0.88 KCNH2 (0.34) ALKCPT1ACPT2LMNAGABRA1
Hydrochloric Acid SCHEMBL3588301 0.88 CPT1A (0.34) CPT1ACPT2GABRA1GABRG2GABRB3
SCHEMBL13031494 0.86 PIK3CD (0.35) ALKGRIN2BPIK3CD
SCHEMBL3576129 0.85 KDM4E (0.34) CPT1ACPT2FPR2
SCHEMBL3592264 0.85 CPT1A (0.33) CPT1AGRIN2BGRIN1CPT2LMNA
SCHEMBL3581098 0.83 CPT1A (0.33) CPT1AGRIN2BGRIN1CPT2LMNA
SCHEMBL3593480 0.83 CPT1A (0.35) CPT1ACPT2GABRA1GABRG2GABRB3
SCHEMBL3580375 0.83 CXCR3 (0.39) CPT1ACPT2
SCHEMBL3576341 0.83 PDE4B (0.34) 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 4 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

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 ALK 947/4885CPT1A 1529/4885GRIN2B 1029/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 ALK 2253/4885CPT1A 1947/4885GRIN2B 584/4885

“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.