SCHEMBL13728792

SCHEMBL13728792

COc1cc(CNC(=O)c2cc(/C=N\O)nc(C)n2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.49
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOD2 Q9HC29 1/20 0.44
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13728795 1.00 MMP13 (0.49) MMP13ROCK2ROCK1ALDH1A1MAPK1
SCHEMBL13837384 1.00 MMP13 (0.49) MMP13ROCK2ROCK1ALDH1A1MAPK1
SCHEMBL13729214 0.89 MMP13 (0.51) MMP13ROCK2ROCK1ALDH1A1MAPK1
SCHEMBL13837553 0.89 MMP13 (0.47) MMP13
SCHEMBL13730528 0.89 MMP13 (0.47) MMP13
SCHEMBL13730530 0.89 MMP13 (0.47) MMP13
SCHEMBL13837460 0.86 MMP13 (0.45) MMP13MAPK1
SCHEMBL14632633 0.84 MAPT (0.53) ALDH1A1HTTL3MBTL1MEN1KMT2A
SCHEMBL14632636 0.84 MAPT (0.53) ALDH1A1HTTL3MBTL1MEN1KMT2A
SCHEMBL13837455 0.84 MAPT (0.53) ALDH1A1HTTL3MBTL1MEN1KMT2A

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-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
EP-2704712-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS AbbVie Inc. (US) 2014-03-12 EP disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
WO-2012151158-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2012-11-08 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-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS CYP3A7, CYP11B2, CYP11B1 MMP13 1996/4885ROCK2 4210/4885ROCK1 4035/4885
US-20130023526-A1 Isoxazolines as Therapeutic Agents CYP3A7, CYP11B2, CYP11B1 MMP13 1996/4885ROCK2 4210/4885ROCK1 4035/4885

“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.