SCHEMBL15340404

SCHEMBL15340404

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N=O)cc1)C(=O)N1CCn2c(nc(-c3cccc(F)c3)c2Nc2ccc(F)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.58
PABPC1 P11940 1/20 0.43
P2RX7 Q99572 1/20 0.39
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
KMT2A Q03164 2/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL1049662 0.92 KCNH2 (0.62) KCNH2PABPC1P2RX7CTSSCTSK
SCHEMBL2068425 0.90 KCNH2 (0.59) KCNH2PABPC1P2RX7CTSSCTSK
SCHEMBL2068859 0.88 KCNH2 (0.55) KCNH2PABPC1P2RX7CTSSCTSK
SCHEMBL997924 0.87 KCNH2 (0.64) KCNH2PABPC1CTSSCTSKSCN9A
SCHEMBL20121537 0.85 KCNH2 (0.53) KCNH2PABPC1P2RX7CTSSCTSK
SCHEMBL2068538 0.84 KCNH2 (0.54) KCNH2PABPC1P2RX7CTSSCTSK
SCHEMBL18136313 0.84 KCNH2 (0.58) KCNH2PABPC1P2RX7CTSSCTSK
SCHEMBL1051096 0.83 KCNH2 (0.58) KCNH2PABPC1P2RX7CTSSCTSK
SCHEMBL2068519 0.83 KCNH2 (0.59) KCNH2PABPC1CTSSCTSKSCN9A
SCHEMBL2069062 0.83 KCNH2 (0.51) KCNH2PABPC1P2RX7CTSSCTSK

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-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 US disclosed
US-9963454-B2 Compounds and compositions for the treatment of parasitic disease NOVARTIS AG (CH) 2018-05-08 US disclosed
US-9469645-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2016-10-18 US disclosed
US-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2013-10-24 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-20160108051-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASE SQLE, SGMS2, SGMS1 KCNH2 1904/4885PABPC1 4699/4885P2RX7 1086/4885
US-20130281403-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES SQLE, ABCB1, FDPS KCNH2 1679/4885PABPC1 4650/4885P2RX7 1026/4885

“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.