SCHEMBL704373

SCHEMBL704373

CCOC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.54
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NOS1 P29475 4/20 0.52
NOS3 P29474 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 4/20 0.50
MAP4K4 O95819 1/20 0.48
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL704374 1.00 NOS2 (0.54) NOS2MAPTKDM4ENPC1RAB9A
SCHEMBL596149 0.86 ALDH1A1 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL596148 0.86 ALDH1A1 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL596381 0.86 ALDH1A1 (0.52) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL596682 0.84 MAPT (0.58) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL596683 0.84 MAPT (0.58) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL595393 0.83 NOS2 (0.59) NOS2MAPTKDM4ENOS1NOS3
SCHEMBL595392 0.83 NOS2 (0.59) NOS2MAPTKDM4ENOS1NOS3
SCHEMBL703252 0.81 GAA (0.48) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL382373 0.80 ALDH1A1 (0.57) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT NOS2 2735/4885MAPT 3898/4885KDM4E 2709/4885

“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.