SCHEMBL534459

SCHEMBL534459

C#Cc1cnc2ccc(OC(CC)C(=O)NC(C)(C#N)/C=N/OC)cc2c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
GSK3B P49841 1/20 0.32
PRKDC P78527 1/20 0.32
KCNH2 Q12809 1/20 0.32
ATM Q13315 1/20 0.32
ATR Q13535 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
ALDH1A1 P00352 4/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 2/20 0.31
F2 P00734 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
SCHEMBL534460 1.00 MAPT (0.32) MAPTPOLBHSD17B10KDRPIK3CA
SCHEMBL535353 0.90 MAPT (0.34) MAPTPOLBHSD17B10KDRADORA3
SCHEMBL535354 0.90 MAPT (0.34) MAPTPOLBHSD17B10KDRADORA3
SCHEMBL535517 0.88 MAPT (0.33) MAPTPOLBHSD17B10KDRADORA3
SCHEMBL535516 0.88 MAPT (0.33) MAPTPOLBHSD17B10KDRADORA3
SCHEMBL534768 0.87 ALDH1A1 (0.31) ALDH1A1HPGDF2GLA
SCHEMBL534767 0.87 ALDH1A1 (0.31) ALDH1A1HPGDF2GLA
SCHEMBL535078 0.83 MAPT (0.34) MAPTPOLBHSD17B10KDRADORA3
SCHEMBL535077 0.83 MAPT (0.34) MAPTPOLBHSD17B10KDRADORA3
SCHEMBL535392 0.83 HSD17B10 (0.35) MAPTPOLBHSD17B10KDRADORA3

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-8507509-B2 Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
EP-2185518-B1 Aryloxyacetamide derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-08 EP disclosed
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-25 US disclosed
EP-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 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 (1 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-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 MAPT 921/4885POLB 4441/4885HSD17B10 200/4885

“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.