SCHEMBL3176221

SCHEMBL3176221

CC(C)(N)C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 6/20 0.66
ALDH1A1 P00352 4/20 0.63
MAPT P10636 3/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
PTGS2 P35354 1/20 0.57
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
RORC P51449 1/20 0.52
ADORA2A P29274 6/20 0.51
ADORA1 P30542 4/20 0.51
ADORA3 P0DMS8 2/20 0.51
ADORA2B P29275 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL2754021 0.90 XIAP (0.64) XIAPALDH1A1MAPTKMT2AMEN1
SCHEMBL2316516 0.84 XIAP (0.57) XIAPALDH1A1MAPTKMT2AMEN1
SCHEMBL3185942 0.84 ADORA3 (0.70) ALDH1A1MAPTKMT2ALMNARORC
SCHEMBL4110096 0.82 ALDH1A1 (0.82) XIAPALDH1A1MAPTKMT2AMEN1
SCHEMBL3176216 0.81 XIAP (0.63) XIAPALDH1A1MAPTKMT2AMEN1
SCHEMBL2316382 0.81 RORC (0.58) XIAPALDH1A1MAPTKMT2AMEN1
SCHEMBL27819115 0.80 ALDH1A1 (0.54) XIAPALDH1A1MAPTKMT2AMEN1
SCHEMBL2318449 0.80 MEN1 (0.75) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL2316563 0.80 ALDH1A1 (0.54) XIAPALDH1A1MAPTKMT2AMEN1
SCHEMBL27819114 0.80 XIAP (0.53) XIAPALDH1A1MAPTKMT2AMEN1

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-8703761-B2 Organic compounds NOVARTIS AG (CH) 2014-04-22 US disclosed
EP-2559455-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2013-02-20 EP disclosed
EP-2548618-A2 Organic compounds Novartis AG (CH) 2013-01-23 EP disclosed
CN-102119047-A Heteroaryl derivatives as DGAT1 inhibitors NOVARTIS AG 2011-07-06 CN disclosed
US-20100022513-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-28 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-20100022513-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 XIAP 3405/4885ALDH1A1 139/4885MAPT 1671/4885

“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.