SCHEMBL3120973

SCHEMBL3120973

COC(=O)c1ccc(/C(Cl)=N\O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.42
ABL1 P00519 1/20 0.41
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA7 P43166 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41

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
SCHEMBL3120980 1.00 KDM4E (0.46) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL14963071 1.00 KDM4E (0.46) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3117963 0.86 HPGD (0.45) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3117973 0.86 HPGD (0.45) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3106288 0.84 KDM4E (0.44) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3116771 0.84 ALDH1A1 (0.44) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3106284 0.84 KDM4E (0.44) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3116768 0.84 ALDH1A1 (0.44) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3110499 0.84 KDM4E (0.44) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL3110506 0.84 KDM4E (0.44) KDM4EALDH1A1MAPTGAAHPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2782449-B1 ISOXAZOLINE DERIVATIVES USED IN THE CONTROL OF ECTOPARASITES ANACOR PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
EP-2782449-A1 ISOXAZOLINE DERIVATIVES USED IN THE CONTROL OF ECTOPARASITES Anacor Pharmaceuticals, Inc. (US) 2014-10-01 EP disclosed
US-8546357-B2 Boron-containing small molecules for controlling ectoparasites ELI LILLY AND COMPANY (US) 2013-10-01 US disclosed
WO-2013078071-A1 ISOXAZOLINE DERIVATIVES USED IN THE CONTROL OF ECTOPARASITES ELI LILLY AND COMPANY (US) 2013-05-30 WO disclosed
US-20130131017-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
US-8372867-B2 Insecticidal aryl isoxazoline derivatives BAYER CROPSCIENCE AG (DE) 2013-02-12 US disclosed
US-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CORPSCIENCE AG (DE) 2010-07-15 US disclosed
EP-2181100-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES Bayer CropScience AG (DE) 2010-05-05 EP disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 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-20100179194-A1 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES CYP4X1, AADAC, CYP3A7 KDM4E 1090/4885ALDH1A1 78/4885MAPT 3460/4885
US-20130131017-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, RB1 KDM4E 2393/4885ALDH1A1 4298/4885MAPT 461/4885

“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.