SCHEMBL380707

SCHEMBL380707

CN[C@@H](C)C(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2cncc(N(C)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.34
CACNA1H O95180 2/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
BIRC2 Q13490 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
XIAP P98170 2/20 0.32
CNR2 P34972 3/20 0.32
CTRC Q99895 1/20 0.31
CNR1 P21554 2/20 0.31

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
SCHEMBL380708 1.00 ELANE (0.34) ELANECACNA1HCACNA1GCACNA1IBIRC2
SCHEMBL10073350 0.91 ELANE (0.35) ELANECACNA1HCACNA1GCACNA1ICNR2
SCHEMBL2318571 0.89 ELANE (0.37) ELANEBIRC2CTRC
SCHEMBL2318568 0.89 ELANE (0.37) ELANEBIRC2CTRC
SCHEMBL2212548 0.88 GLA (0.33) ELANECACNA1HCACNA1GCACNA1IBIRC2
SCHEMBL2212981 0.88 GLA (0.33) ELANECACNA1HCACNA1GCACNA1IBIRC2
SCHEMBL2212409 0.88 ELANE (0.41) ELANE
SCHEMBL2209256 0.88 ELANE (0.41) ELANE
SCHEMBL2317543 0.86 ELANE (0.41) ELANEBIRC2XIAPCTRC
SCHEMBL2317546 0.86 ELANE (0.41) ELANEBIRC2XIAPCTRC

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-2086938-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-01-25 EP claimed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US claimed
EP-2086938-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2009-08-12 EP claimed
WO-2008073306-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-06-19 WO claimed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 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-20100048571-A1 Organic Compounds XIAP, BAX, MCL1 ELANE 2481/4885CACNA1H 4702/4885CACNA1G 4680/4885

“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.