SCHEMBL612481

SCHEMBL612481

Cc1nc2ncnn2c(N)c1C#C[C@@H](O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 9/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 4/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.40
DHFR P00374 1/20 0.40
ENPP1 P22413 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL610632 1.00 MBOAT4 (0.43) MBOAT4ALDH1A1MAPK1TSHRLMNA
SCHEMBL607989 1.00 MBOAT4 (0.43) MBOAT4ALDH1A1MAPK1TSHRLMNA
SCHEMBL3632479 0.87 MBOAT4 (0.42) MBOAT4ALDH1A1MAPK1TSHRLMNA
SCHEMBL609735 0.84 MBOAT4 (0.43) MBOAT4ALDH1A1MAPK1TSHRLMNA
SCHEMBL610008 0.81 TSHR (0.37) MBOAT4ALDH1A1MAPK1TSHRLMNA
SCHEMBL611303 0.80 MAPK1 (0.44) MBOAT4ALDH1A1MAPK1TSHRLMNA
SCHEMBL609211 0.78 ENPP1 (0.47) MBOAT4GAADHFRENPP1
SCHEMBL612076 0.78 ALDH1A1 (0.39) MBOAT4ALDH1A1TSHRKMT2AGAA
SCHEMBL610756 0.77 MBOAT4 (0.37) MBOAT4
SCHEMBL608963 0.76 MBOAT4 (0.36) MBOAT4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557828-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2013-10-15 US claimed
EP-2142552-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-08-01 EP claimed
US-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2012-02-16 US claimed
US-8076344-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2011-12-13 US claimed
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-11-27 US claimed
US-8557828-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2013-10-15 US disclosed
EP-2500347-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-09-19 EP disclosed
EP-2142552-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-08-01 EP disclosed
US-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2012-02-16 US disclosed
US-8076344-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2011-12-13 US disclosed
EP-2142552-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-11-27 US disclosed
WO-2008134690-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 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-20120041003-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT MBOAT4 69/4885ALDH1A1 220/4885MAPK1 1247/4885
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT MBOAT4 69/4885ALDH1A1 220/4885MAPK1 1247/4885

“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.