SCHEMBL13837553

SCHEMBL13837553

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.47
CACNA1G O43497 5/20 0.43
CACNA1H O95180 5/20 0.43
CACNA1I Q9P0X4 5/20 0.43
MAOB P27338 1/20 0.42
CHRM4 P08173 1/20 0.41
SCD O00767 1/20 0.41
P2RX7 Q99572 1/20 0.39
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP10 P09238 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
PPARG P37231 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 1.00 MMP13 (0.47) MMP13CACNA1GCACNA1HCACNA1IMAOB
SCHEMBL13730530 1.00 MMP13 (0.47) MMP13CACNA1GCACNA1HCACNA1IMAOB
SCHEMBL13837460 0.90 MMP13 (0.45) MMP13
SCHEMBL13837857 0.89 SMN1; SMN2 (0.51) MMP13THRBPOLBSMN1; SMN2
SCHEMBL13728792 0.89 MMP13 (0.49) MMP13
SCHEMBL13837384 0.89 MMP13 (0.49) MMP13
SCHEMBL13728795 0.89 MMP13 (0.49) MMP13
SCHEMBL13837855 0.86 ADORA2A (0.47) MMP13MAOBCHRM4SCDTHRB
SCHEMBL13837557 0.84 HPGD (0.49) MAOBP2RX7SMN1; SMN2
SCHEMBL14648379 0.84 ALOX15 (0.55) MMP13POLBSMN1; SMN2

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 1996/4885CACNA1G 1336/4885CACNA1H 1865/4885
US-20130023526-A1 Isoxazolines as Therapeutic Agents CYP3A7, CYP11B2, CYP11B1 MMP13 1996/4885CACNA1G 1336/4885CACNA1H 1865/4885

“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.