SCHEMBL1324437

SCHEMBL1324437

CN[C@@H](C)C(=O)Nc1ccc(-c2cccc(NC(C)=O)c2)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.36
ELANE P08246 3/20 0.36
ERCC5 P28715 2/20 0.36
FEN1 P39748 1/20 0.36
MCHR1 Q99705 5/20 0.35
KCNH2 Q12809 3/20 0.35
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FYN P06241 3/20 0.34
PRKAA2 P54646 1/20 0.34
PTGER3 P43115 1/20 0.33

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
SCHEMBL12122020 1.00 BRAF (0.36) BRAFELANEERCC5FEN1MCHR1
SCHEMBL1324440 1.00 BRAF (0.36) BRAFELANEERCC5FEN1MCHR1
SCHEMBL12122072 0.92 GRIN1 (0.37) ELANE
SCHEMBL1323841 0.92 GRIN1 (0.37) ELANE
SCHEMBL1323845 0.92 GRIN1 (0.37) ELANE
SCHEMBL12122043 0.90 ELANE (0.39) ELANE
SCHEMBL1324460 0.90 ELANE (0.39) ELANE
SCHEMBL1323939 0.90 GRIN1 (0.37) ELANE
SCHEMBL1323936 0.90 GRIN1 (0.37) ELANE
SCHEMBL12122044 0.90 GRIN1 (0.37) ELANE

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-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US claimed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US claimed
CN-101595093-A Organic compound NOVARTIS AG (CH) 2009-12-02 CN 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 BRAF 798/4885ELANE 2481/4885ERCC5 319/4885

“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.