SCHEMBL2491014

SCHEMBL2491014

COc1ccc(C(=O)NC(C)(C)C(=O)Nc2nc(-c3ccccc3)c(Cc3ccccc3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.55
ADORA3 P0DMS8 7/20 0.54
DGAT1 O75907 2/20 0.51
PLTP P55058 2/20 0.50
ADORA2A P29274 1/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
TRPV4 Q9HBA0 2/20 0.47
RORC P51449 1/20 0.47

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
SCHEMBL2489832 0.92 TRPV4 (0.57) ADORA1ADORA3DGAT1PLTPPTGDR2
SCHEMBL2487641 0.91 DGAT1 (0.49) ADORA1ADORA3DGAT1PLTPADORA2A
SCHEMBL2487360 0.91 DGAT1 (0.63) ADORA1ADORA3DGAT1PLTPADORA2A
SCHEMBL2490614 0.90 NPC1 (0.51) ADORA1ADORA3DGAT1PLTPMEN1
SCHEMBL2316605 0.89 ADORA1 (0.52) ADORA1ADORA3DGAT1PLTPADORA2A
SCHEMBL2487506 0.88 PLTP (0.52) ADORA1DGAT1PLTPADORA2APTGDR2
SCHEMBL2315021 0.88 RORC (0.58) ADORA1ADORA3DGAT1PLTPPTGDR2
SCHEMBL2484995 0.88 PLTP (0.51) ADORA1DGAT1PLTPADORA2APTGDR2
SCHEMBL2485677 0.88 PLTP (0.51) ADORA1ADORA3DGAT1PLTPADORA2A
SCHEMBL2488081 0.87 PLTP (0.50) ADORA1ADORA3DGAT1PLTPADORA2A

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
EP-2380631-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2011-10-26 EP 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 ADORA1 2075/4885ADORA3 2247/4885DGAT1 1/4885

“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.