SCHEMBL13837460

SCHEMBL13837460

Cc1nc(/C=N/O)cc(C(=O)NCc2ccc(F)c(Cl)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.45
CNR2 P34972 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK1 P28482 4/20 0.40
TP53 P04637 1/20 0.39
WDR5 P61964 4/20 0.39
HPGD P15428 1/20 0.39
DGAT1 O75907 1/20 0.39

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
SCHEMBL13730528 0.90 MMP13 (0.47) MMP13
SCHEMBL13837553 0.90 MMP13 (0.47) MMP13
SCHEMBL13730530 0.90 MMP13 (0.47) MMP13
SCHEMBL13837557 0.90 HPGD (0.49) CNR2WDR5HPGD
SCHEMBL13837857 0.86 SMN1; SMN2 (0.51) MMP13TP53
SCHEMBL13728795 0.86 MMP13 (0.49) MMP13MAPK1
SCHEMBL13837384 0.86 MMP13 (0.49) MMP13MAPK1
SCHEMBL13728792 0.86 MMP13 (0.49) MMP13MAPK1
SCHEMBL13837855 0.83 ADORA2A (0.47) MMP13TP53HPGD
SCHEMBL14648379 0.81 ALOX15 (0.55) MMP13HPGD

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 7 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-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
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US 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 1996/4885CNR2 132/4885HDAC3 322/4885
US-20130023526-A1 Isoxazolines as Therapeutic Agents CYP3A7, CYP11B2, CYP11B1 MMP13 1996/4885CNR2 132/4885HDAC3 322/4885

“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.