SCHEMBL380706

SCHEMBL380706

CN[C@@H](C)C(=O)Nc1ccc(-c2ccc(F)cc2)n(Cc2cncc(NCc3ccc(F)cc3)c2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
PPARA Q07869 2/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNQ4 P56696 1/20 0.34
KCNQ5 Q9NR82 1/20 0.34
KCNH2 Q12809 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
SCHEMBL2212977 0.88 GAA (0.38) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL2209253 0.88 ELANE (0.41) ELANEALDH1A1P2RX3
SCHEMBL2317542 0.85 ELANE (0.44) ELANEKMT2AKDM4EALDH1A1HPGD
SCHEMBL380276 0.85 ELANE (0.35) ELANEDYRK1A
SCHEMBL380277 0.85 ELANE (0.35) ELANEDYRK1A
SCHEMBL12122067 0.85 ELANE (0.35) ELANEDYRK1A
SCHEMBL380488 0.84 P2RX3 (0.38) ELANEP2RX3
SCHEMBL380328 0.84 P2RX3 (0.38) ELANEP2RX3
SCHEMBL380707 0.83 ELANE (0.34) ELANECNR1CNR2XIAP
SCHEMBL380708 0.83 ELANE (0.34) ELANECNR1CNR2XIAP

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 4 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
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 2481/4885KMT2A 3641/4885MEN1 3257/4885

“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.