SCHEMBL1248809

SCHEMBL1248809

COc1cccc(NC(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.71
MAPT P10636 2/20 0.62
COMT P21964 1/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
TP53 P04637 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.53
HDAC6 Q9UBN7 1/20 0.52
CHEK1 O14757 1/20 0.52

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
SCHEMBL1251146 0.93 DGAT1 (0.72) DGAT1MAPTCOMTNPC1RAB9A
SCHEMBL1250253 0.91 DGAT1 (0.70) DGAT1MAPTCOMTTP53HDAC6
SCHEMBL1250312 0.91 DGAT1 (0.79) DGAT1MAPTCOMTNPC1RAB9A
SCHEMBL1250675 0.89 DGAT1 (0.67) DGAT1MAPTNPC1RAB9ATP53
SCHEMBL1249356 0.89 DGAT1 (0.70) DGAT1MAPTHDAC6
SCHEMBL1251151 0.88 DGAT1 (0.71) DGAT1MAPTCOMTNPC1RAB9A
SCHEMBL1250861 0.87 DGAT1 (0.67) DGAT1MAPTNPC1RAB9A
SCHEMBL1251001 0.87 DGAT1 (0.73) DGAT1MAPTNPC1RAB9ATP53
SCHEMBL1248740 0.87 DGAT1 (0.73) DGAT1MAPTNPC1RAB9ATP53
SCHEMBL1250402 0.87 DGAT1 (0.75) DGAT1MAPTNPC1RAB9ATP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 US disclosed
US-20110046133-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-24 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 (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-20110046133-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 DGAT1 1/4885MAPT 1210/4885COMT 1199/4885

“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.