SCHEMBL2789608

SCHEMBL2789608

O=[N+]([O-])c1ccc(NC2CCCC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
MAPT P10636 3/20 0.59
GAA P10253 2/20 0.59
POLB P06746 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HCAR3 P49019 2/20 0.55
CYP1A2 P05177 1/20 0.55
HDAC8 Q9BY41 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
ALOX12 P18054 1/20 0.49
RIPK1 Q13546 1/20 0.48
DPP4 P27487 1/20 0.47
EPHX1 P07099 2/20 0.47

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
SCHEMBL4066108 0.98 LMNA (0.58) LMNAMAPTGAAPOLBSMN1; SMN2
SCHEMBL1473102 0.98 LMNA (0.58) LMNAMAPTGAAPOLBSMN1; SMN2
SCHEMBL2789965 0.97 MAPT (0.55) LMNAMAPTGAAPOLBSMN1; SMN2
SCHEMBL2793284 0.94 GAA (0.58) LMNAMAPTGAAPOLBSMN1; SMN2
SCHEMBL4711725 0.87 GAA (0.51) LMNAMAPTGAAPOLBSMN1; SMN2
SCHEMBL4715505 0.87 GAA (0.51) LMNAMAPTGAAPOLBSMN1; SMN2
SCHEMBL4711722 0.87 GAA (0.51) LMNAMAPTGAAPOLBSMN1; SMN2
SCHEMBL21848229 0.87 GAA (0.51) LMNAMAPTGAAPOLBSMN1; SMN2
SCHEMBL4716206 0.87 GAA (0.55) LMNAMAPTGAAPOLBSMN1; SMN2
SCHEMBL12041923 0.87 GAA (0.51) LMNAMAPTGAAPOLBSMN1; SMN2

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
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP disclosed
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors BOLIN DAVID ROBERT 2010-07-01 US disclosed
US-7714126-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
CN-101316844-A Inhibitors of diacylglycerol acyltransferase (DGAT) HOFFMANN LA ROCHE (CH) 2008-12-03 CN disclosed
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO disclosed
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. 2007-05-31 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 (3 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-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT LMNA 4364/4885MAPT 3561/4885GAA 200/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT LMNA 4364/4885MAPT 3561/4885GAA 200/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT LMNA 4364/4885MAPT 3561/4885GAA 200/4885

“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.