SCHEMBL535517

SCHEMBL535517

CCC(Oc1ccc2ncc(Br)cc2c1)C(=O)NC(C)(C#N)C=NOC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
HPGD P15428 3/20 0.32
F2 P00734 1/20 0.32
GLA P06280 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
MET P08581 4/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KDR P35968 2/20 0.30
AURKA O14965 1/20 0.30
ABL1 P00519 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
SCHEMBL535516 1.00 MAPT (0.33) MAPTPOLBHSD17B10ALDH1A1KDM4E
SCHEMBL534565 0.89 MAPT (0.36) MAPTPOLBHSD17B10ALDH1A1KDM4E
SCHEMBL534566 0.89 MAPT (0.36) MAPTPOLBHSD17B10ALDH1A1KDM4E
SCHEMBL3647290 0.88 MAPT (0.32) MAPTPOLBHSD17B10ALDH1A1KDM4E
SCHEMBL534459 0.88 MAPT (0.32) MAPTPOLBHSD17B10ALDH1A1KDM4E
SCHEMBL534460 0.88 MAPT (0.32) MAPTPOLBHSD17B10ALDH1A1KDM4E
SCHEMBL534444 0.86 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDF2GLA
SCHEMBL3619979 0.82 HSD17B10 (0.35) MAPTPOLBHSD17B10ALDH1A1KDM4E
SCHEMBL154893 0.81 ALDH1A1 (0.39) MAPTPOLBHSD17B10ALDH1A1KDM4E
SCHEMBL29814914 0.81 ALDH1A1 (0.39) MAPTPOLBHSD17B10ALDH1A1KDM4E

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-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

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.