SCHEMBL3591790

SCHEMBL3591790

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cn4cnc(C)c4)CC3)cs2)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
KCNH2 Q12809 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CPT1A P50416 7/20 0.34
CPT2 P23786 4/20 0.34
CPT1B Q92523 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
TLR9 Q9NR96 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
SCHEMBL3590755 0.92 CPT1A (0.36) PSEN1PSEN2KCNH2APH1BNCSTN
SCHEMBL3581627 0.86 IRAK4 (0.33) PSEN1PSEN2KCNH2APH1BNCSTN
SCHEMBL3586123 0.86 WNT3 (0.37) CPT1ACPT2CPT1BKDM4E
SCHEMBL13031370 0.85 PTGS2 (0.35) PSEN1PSEN2KCNH2APH1BNCSTN
SCHEMBL3588152 0.84 CXCR3 (0.38) KCNH2CPT1ACPT2CPT1BIRAK4
SCHEMBL3583234 0.84 CPT1A (0.35) CPT1ACPT2CPT1BGRIN1GRIN2B
SCHEMBL3590478 0.84 CPT1A (0.31) PSEN1PSEN2KCNH2APH1BNCSTN
SCHEMBL3583149 0.84 IRAK4 (0.32) CPT1ACPT2CPT1BGRIN2BIRAK4
SCHEMBL15451262 0.84 KCNH2 (0.35) KCNH2CPT1ACPT2CPT1BIRAK4
SCHEMBL3589601 0.84 CPT1A (0.33) KCNH2CPT1ACPT2CPT1BGRIN1

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 5 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
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO 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 PSEN1 3330/4885PSEN2 4028/4885KCNH2 592/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 PSEN1 3725/4885PSEN2 3975/4885KCNH2 2030/4885

“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.