SCHEMBL4576386

SCHEMBL4576386

CC(C)NNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
MAPT P10636 5/20 0.57
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
PTGS2 P35354 1/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL14277710 0.85 MAOA (0.54) MEN1KMT2APOLBMAPTHDAC3
SCHEMBL28723007 0.84 MEN1 (0.82) MEN1KMT2APOLBMAPTHDAC3
SCHEMBL4488971 0.83 RAB9A (0.62) MEN1KMT2APOLBMAPTLMNA
SCHEMBL8760327 0.82 NPC1 (0.55) MEN1KMT2APOLBMAPTHDAC3
SCHEMBL222685 0.79 MEN1 (0.70) MEN1KMT2APOLBMAPTHDAC3
SCHEMBL8760609 0.79 MEN1 (0.55) MEN1KMT2APOLBMAPTLMNA
SCHEMBL8759664 0.79 MEN1 (0.55) MEN1KMT2APOLBMAPTLMNA
SCHEMBL15486216 0.78 MAOA (0.67) MEN1KMT2AMAPTLMNAHPGD
SCHEMBL11163745 0.78 RAB9A (0.61) MEN1KMT2APOLBMAPTLMNA
SCHEMBL14641039 0.77 MEN1 (0.67) MEN1KMT2APOLBMAPTHDAC3

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-7317125-B2 Diacylglycerol acyltransferase inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-01-08 US disclosed
EP-1848687-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
US-20060178532-A1 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. 2006-08-10 US disclosed
WO-2006082010-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO 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-20060178532-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT MEN1 3463/4885KMT2A 1380/4885POLB 3699/4885

“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.