SCHEMBL2393818

SCHEMBL2393818

O=C1CN(c2ccc([N+](=O)[O-])cn2)CCN1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
ALDH1A1 P00352 5/20 0.59
LMNA P02545 1/20 0.59
ALOX12 P18054 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
CRBN Q96SW2 3/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.48
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
POLB P06746 1/20 0.46
MAPK1 P28482 2/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL670110 0.81 MAPT (0.74) MAPTALDH1A1LMNAALOX12NPSR1
Hydrochloric Acid SCHEMBL2254485 0.80 MAPT (0.72) MAPTALDH1A1LMNAALOX12NPSR1
Hydrochloric Acid SCHEMBL27757811 0.80 MAPT (0.72) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL854398 0.79 MAPT (0.57) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL855195 0.79 SIRT6 (0.64) MAPTALDH1A1LMNACRBNMEN1
SCHEMBL15205734 0.77 GRIN2D (0.51) HPGDS
SCHEMBL12184922 0.77 GRIN2D (0.51) HPGDSKDM4E
SCHEMBL9963945 0.77 GRIN2D (0.51) HPGDS
SCHEMBL2003294 0.77 MAPT (0.76) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL238818 0.76 MAPT (1.00) MAPTALDH1A1LMNAALOX12NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716312-B2 Inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORPORATION (US) 2014-05-06 US disclosed
EP-2376454-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-10-19 EP disclosed
EP-2367598-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-09-28 EP disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2011-09-15 US disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
US-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
WO-2010059611-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
WO-2010059611-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
WO-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
WO-2010059602-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 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 (2 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-20110224193-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT MAPT 1875/4885ALDH1A1 928/4885LMNA 3728/4885
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT MAPT 2416/4885ALDH1A1 670/4885LMNA 3831/4885

“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.