SCHEMBL14958355

SCHEMBL14958355

COC(=O)c1ccc(C(N)=O)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 4/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 2/20 0.53
GLA P06280 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ATM Q13315 1/20 0.53
NOTUM Q6P988 1/20 0.47
TSHR P16473 1/20 0.46
APOBEC3A P31941 1/20 0.46
HTT P42858 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
ABL1 P00519 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA7 P43166 2/20 0.43

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
SCHEMBL70233 0.87 KDM4E (0.62) KDM4EALDH1A1HSD17B10MAPTGAA
SCHEMBL27442731 0.87 GAA (0.50) KDM4EALDH1A1HSD17B10MAPTGAA
SCHEMBL30870705 0.87 GAA (0.50) KDM4EALDH1A1HSD17B10MAPTGAA
SCHEMBL2427491 0.86 KDM4E (0.57) KDM4EALDH1A1HSD17B10MAPTGAA
SCHEMBL3121267 0.84 HSD17B10 (0.52) KDM4EALDH1A1HSD17B10MAPTGAA
SCHEMBL1483525 0.84 KDM4E (0.50) KDM4EALDH1A1HSD17B10MAPTGAA
SCHEMBL16950448 0.84 KDM4E (0.50) KDM4EALDH1A1HSD17B10MAPTGAA
SCHEMBL29606243 0.84 KDM4E (0.50) KDM4EALDH1A1HSD17B10MAPTGAA
SCHEMBL1483367 0.83 MAPT (0.59) KDM4EALDH1A1HSD17B10MAPTGAA
SCHEMBL5089887 0.83 KDM4E (0.49) KDM4EALDH1A1HSD17B10MAPTGAA

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 6 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
CN-104066330-B Isoxazoline derivatives for controlling ectoparasites ANACOR PHARMACEUTICALS, INC. (US) 2016-05-18 CN 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

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-20130131017-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, RB1 KDM4E 2393/4885ALDH1A1 4298/4885HSD17B10 2443/4885

“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.