SCHEMBL1323879

SCHEMBL1323879

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.39
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
TP53 P04637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PRKAA2 P54646 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.35
FYN P06241 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER3 P43115 1/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL12122065 1.00 ELANE (0.39) ELANEMAPTLMNATP53ALDH1A1
SCHEMBL1323882 1.00 ELANE (0.39) ELANEMAPTLMNATP53ALDH1A1
SCHEMBL12122067 0.94 ELANE (0.35) ELANE
SCHEMBL380276 0.94 ELANE (0.35) ELANE
SCHEMBL380277 0.94 ELANE (0.35) ELANE
SCHEMBL12122066 0.91 MAPT (0.38) ELANEMAPTLMNATP53ALDH1A1
SCHEMBL12122004 0.91 HDAC6 (0.36) ELANELMNA
SCHEMBL1322977 0.91 HDAC6 (0.36) ELANELMNA
SCHEMBL1324444 0.91 MAPT (0.38) ELANEMAPTLMNATP53ALDH1A1
SCHEMBL1324446 0.91 MAPT (0.38) ELANEMAPTLMNATP53ALDH1A1

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
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
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 2481/4885MAPT 1689/4885LMNA 2043/4885

“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.