Sugi Predict

Sugi Predict / Compounds / SCHEMBL2391556

SCHEMBL2391556

SCHEMBL2391556

COC(=O)c1cccc(COC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPK1 P28482 1/20 0.48
▸ DGAT1 O75907 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPBWR1 P48145 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ BCHE P06276 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ OPRK1 P41145 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.42
▸ CYP1A2 P05177 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
SCHEMBL1444442 0.85 DGAT1 (0.49) MAPTDGAT1ALDH1A1KMT2ALMNA
SCHEMBL669645 0.81 DGAT1 (0.54) MAPTL3MBTL1POLBMAPK1DGAT1
SCHEMBL670519 0.78 MAPT (0.48) MAPTL3MBTL1MAPK1ALDH1A1NPBWR1
SCHEMBL1443419 0.76 DGAT1 (0.48) MAPTDGAT1ALDH1A1BCHELMNA
SCHEMBL26640038 0.75 MAPT (0.73) MAPTL3MBTL1POLBMAPK1ALDH1A1
SCHEMBL18615763 0.73 LOXL2 (0.56) MAPTL3MBTL1ALDH1A1NPSR1MRGPRX4
SCHEMBL14235733 0.73 DGAT1 (0.54) DGAT1CYP2C9
SCHEMBL5249138 0.73 MAPT (0.67) MAPTL3MBTL1POLBMAPK1ALDH1A1
SCHEMBL596528 0.72 MAPT (0.62) MAPTL3MBTL1POLBMAPK1ALDH1A1
SCHEMBL3491696 0.71 BCHE (0.44) MAPTL3MBTL1DGAT1ALDH1A1NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 — — US 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
WO-2011031628-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-03-17 — — 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-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT MAPT 2822/4885L3MBTL1 1071/4885POLB 4469/4885
US-20110224137-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT MAPT 2416/4885L3MBTL1 1258/4885POLB 4408/4885

“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.