SCHEMBL2490614

SCHEMBL2490614

COc1cccc(C(=O)NC(C)(C)C(=O)Nc2nc(-c3ccccc3)c(Cc3ccccc3)s2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PLTP P55058 3/20 0.50
TRPV4 Q9HBA0 6/20 0.49
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
DHODH Q02127 1/20 0.46
RORC P51449 1/20 0.45
ADORA3 P0DMS8 2/20 0.45
ADORA1 P30542 2/20 0.45
DGAT1 O75907 1/20 0.44
SCD O00767 1/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43

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 0.93 TRPV4 (0.57) PLTPTRPV4KDM4EHTTTDP1
SCHEMBL12206433 0.91 TRPV4 (0.46) NPC1RAB9APLTPTRPV4KDM4E
SCHEMBL2491014 0.90 ADORA1 (0.55) NPC1RAB9APLTPTRPV4MEN1
SCHEMBL2317599 0.90 PLTP (0.49) NPC1RAB9APLTPTRPV4KDM4E
SCHEMBL2487506 0.88 PLTP (0.52) NPC1RAB9APLTPTRPV4KDM4E
SCHEMBL2490496 0.88 PLTP (0.52) NPC1PLTPKDM4ESMN1; SMN2MEN1
SCHEMBL2487253 0.85 PLTP (0.50) NPC1RAB9APLTPTRPV4LMNA
SCHEMBL1304151 0.85 PLTP (0.62) NPC1RAB9APLTPTRPV4SMN1; SMN2
SCHEMBL13531700 0.85 PLTP (0.55) NPC1RAB9APLTPKDM4ESMN1; SMN2
SCHEMBL2485677 0.83 PLTP (0.51) NPC1RAB9APLTPKDM4ELMNA

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 NPC1 83/4885RAB9A 2469/4885PLTP 575/4885

“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.