SCHEMBL2211459

SCHEMBL2211459

CNC(=O)c1cccc(-c2ncc(NC(=O)C(C)NC)c(=O)n2Cc2cc(C(=O)c3ccc(F)cc3)cc(C(F)(F)F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.38
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
TDO2 P48775 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MET P08581 1/20 0.34
VNN1 O95497 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL2211451 1.00 ELANE (0.38) ELANEKDM4ESMN1; SMN2HTTTDO2
SCHEMBL14174473 0.93 ELANE (0.37) ELANEKDM4ESMN1; SMN2HTTTDO2
SCHEMBL2210261 0.90 KDM4E (0.35) ELANEKDM4ESMN1; SMN2HTTVNN1
SCHEMBL2210254 0.90 KDM4E (0.35) ELANEKDM4ESMN1; SMN2HTTVNN1
SCHEMBL2213492 0.89 ELANE (0.36) ELANESMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL2211038 0.89 ELANE (0.36) ELANESMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL1323082 0.88 KDM4E (0.38) ELANEKDM4ESMN1; SMN2HTTTDO2
SCHEMBL1323077 0.88 KDM4E (0.38) ELANEKDM4ESMN1; SMN2HTTTDO2
SCHEMBL2210167 0.88 KDM4E (0.40) ELANEKDM4ESMN1; SMN2HTTVNN1
SCHEMBL2213976 0.88 KDM4E (0.40) ELANEKDM4ESMN1; SMN2HTTVNN1

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-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US claimed
EP-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 EP claimed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 US claimed
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US disclosed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 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 (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-20110319614-A1 Organic Compounds XIAP, BIRC5, BIRC3 ELANE 592/4885KDM4E 3564/4885SMN1; SMN2 1479/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 ELANE 592/4885KDM4E 3564/4885SMN1; SMN2 1479/4885

“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.