SCHEMBL3576129

SCHEMBL3576129

CCOC(=O)c1nccn1CC(=O)N1CCC(c2csc(-c3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
FPR2 P25090 1/20 0.33
CPT1A P50416 4/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CPT2 P23786 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
TSHR P16473 2/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CPT1B Q92523 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
Hydrochloric Acid SCHEMBL3588301 0.90 CPT1A (0.34) FPR2CPT1ACPT2FFAR4CPT1B
SCHEMBL3581779 0.89 TLR9 (0.34) FPR2CPT1ACPT2CPT1B
SCHEMBL13031586 0.86 CDC7 (0.34) KDM4EHPGDALDH1A1RXFP1TSHR
SCHEMBL3584282 0.86 KCNH2 (0.34) FPR2CPT1ACPT2CPT1B
SCHEMBL3588046 0.85 ALK (0.34) FPR2CPT1ACPT2
SCHEMBL3576368 0.85 KDM4E (0.35) KDM4EHPGDALDH1A1FPR2CPT1A
SCHEMBL3592264 0.83 CPT1A (0.33) KDM4EHPGDALDH1A1FPR2CPT1A
SCHEMBL3581627 0.82 IRAK4 (0.33) KDM4EFPR2CPT1ACPT2CPT1B
SCHEMBL3583149 0.82 IRAK4 (0.32) KDM4EHPGDALDH1A1FPR2CPT1A
SCHEMBL15451262 0.82 KCNH2 (0.35) FPR2CPT1ACPT2CPT1B

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 KDM4E 1248/4885HPGD 3314/4885ALDH1A1 999/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 KDM4E 3447/4885HPGD 984/4885ALDH1A1 971/4885

“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.