SCHEMBL3585404

SCHEMBL3585404

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4cnc(C)c4CO)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 3/20 0.32
CPT2 P23786 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
PTGS2 P35354 3/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KMT2A Q03164 2/20 0.32
LDHA P00338 1/20 0.32
CPT1B Q92523 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
Hydrochloric Acid SCHEMBL3585764 0.92 CPT1A (0.33) CPT1ACPT2PTGS2IRAK4KMT2A
SCHEMBL15451262 0.90 KCNH2 (0.35) CPT1ACPT2GABRA1GABRG2GABRB3
SCHEMBL13072300 0.86 KMT2A (0.34) PTGS2KMT2AHPGDSMN1; SMN2MEN1
SCHEMBL3590320 0.86 IRAK4 (0.33) CPT1ACPT2GABRA1GABRG2GABRB3
SCHEMBL3589593 0.85 LMNA (0.40) CPT1ACPT2SMN1; SMN2ALDH1A1LMNA
SCHEMBL3584282 0.85 KCNH2 (0.34) CPT1ACPT2GABRA1GABRG2GABRB3
SCHEMBL3581779 0.85 TLR9 (0.34) CPT1ACPT2GABRA1GABRG2GABRB3
SCHEMBL3589601 0.85 CPT1A (0.33) CPT1ACPT2GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL3591188 0.84 CPT1A (0.34) CPT1ACPT2CPT1BHPGDALDH1A1
SCHEMBL3596525 0.84 CPT1A (0.33) CPT1ACPT2IRAK4KMT2ACPT1B

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-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 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 CPT1A 1529/4885CPT2 3009/4885GABRA1 1903/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 CPT1A 1947/4885CPT2 2552/4885GABRA1 333/4885

“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.