SCHEMBL3586581

SCHEMBL3586581

CC(C)(C)c1cc(-c2nc(C3CCN(C(=O)Cn4nc(C(F)(F)F)cc4C(F)(F)F)CC3)cs2)cc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
RORC P51449 1/20 0.36
CPT1A P50416 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.33
CCR1 P32246 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
KHK P50053 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NTMT1 Q9BV86 1/20 0.32

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
SCHEMBL3589462 0.92 GAA (0.46) GAARORCCPT1ALMNACCR1
SCHEMBL13031431 0.84 GAA (0.36) GAARORCLMNACCR1GRIN1
SCHEMBL3581647 0.82 CXCR3 (0.36) RORCCPT1A
SCHEMBL3577015 0.82 CXCR3 (0.41) GAARORCLMNATLR9TLR8
SCHEMBL3589124 0.80 TP53 (0.33) RORCCPT1ALMNACCR1
SCHEMBL3592654 0.80 RORC (0.33) RORCSMN1; SMN2LMNACCR1TLR9
SCHEMBL3582043 0.80 CXCR3 (0.39) LMNAGRIN1GRIN2B
SCHEMBL3584160 0.80 RORC (0.38) RORCLMNA
SCHEMBL3596505 0.80 SHMT1 (0.36) GAARORCCPT1AHPGDSMN1; SMN2
SCHEMBL27967261 0.79 GAA (0.45) GAACPT1ALMNACCR1TLR9

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 GAA 715/4885RORC 2345/4885CPT1A 1529/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 GAA 4433/4885RORC 85/4885CPT1A 1947/4885

“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.