SCHEMBL609328

SCHEMBL609328

Nc1c(Br)cnc2ncnn12

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.47
MBOAT4 Q96T53 16/20 0.36
ABL1 P00519 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL15331243 0.72 ALDH1A1 (0.46) ALDH1A1POLBGAAMBOAT4
SCHEMBL30543997 0.69 ALDH1A1 (0.44) ALDH1A1POLBGAA
SCHEMBL3540816 0.69 CSNK1A1 (0.42) ALDH1A1POLBGAA
SCHEMBL28392486 0.68 KDR (0.41) ABL1KDR
SCHEMBL4157774 0.66 ALDH1A1 (0.51) ALDH1A1POLBGAAMBOAT4
SCHEMBL5288530 0.65 ALDH1A1 (0.50) ALDH1A1POLBGAAMBOAT4
SCHEMBL5307909 0.65 ALDH1A1 (0.50) ALDH1A1POLBGAA
SCHEMBL22968432 0.63 TSHR (0.50) ALDH1A1MBOAT4
SCHEMBL11251886 0.63 ALDH1A1 (0.39) ALDH1A1POLBGAAMBOAT4
SCHEMBL1650004 0.63 ALDH1A1 (0.49) ALDH1A1POLBGAA

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 6 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 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
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-11-27 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 (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 ALDH1A1 220/4885POLB 2960/4885GAA 129/4885
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT ALDH1A1 220/4885POLB 2960/4885GAA 129/4885

“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.