SCHEMBL3589462

SCHEMBL3589462

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2csc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
CCR1 P32246 1/20 0.42
LMNA P02545 3/20 0.37
RORC P51449 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CPT1A P50416 1/20 0.35
POLB P06746 3/20 0.35
TSHR P16473 1/20 0.35
CA2 P00918 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ENPP2 Q13822 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL3586581 0.92 GAA (0.36) GAACCR1LMNARORCCPT1A
SCHEMBL3577015 0.90 CXCR3 (0.41) GAALMNARORCPOLBTLR9
SCHEMBL27967261 0.87 GAA (0.45) GAACCR1LMNATP53L3MBTL1
SCHEMBL3596505 0.86 SHMT1 (0.36) GAALMNARORCTP53KDM4E
SCHEMBL3589321 0.84 SHMT1 (0.35) CCR1RORCTP53CPT1A
SCHEMBL3581647 0.84 CXCR3 (0.36) RORCCPT1A
SCHEMBL13031433 0.84 GAA (0.46) GAACCR1LMNARORCTP53
SCHEMBL14880227 0.83 GAA (0.51) GAACCR1LMNATP53L3MBTL1
SCHEMBL3592654 0.82 RORC (0.33) CCR1LMNARORCPOLBTLR9
SCHEMBL3589124 0.82 TP53 (0.33) CCR1LMNARORCTP53CPT1A

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 715/4885CCR1 945/4885LMNA 3574/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 GAA 4433/4885CCR1 8/4885LMNA 4877/4885

“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.