SCHEMBL2790976

SCHEMBL2790976

CNc1sc(N)nc1CCOC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
FBP1 P09467 2/20 0.30
HTT P42858 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP1A2 P05177 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL2793877 0.72 L3MBTL1 (0.37) ALDH1A1KDM4ESMN1; SMN2POLBFBP1
SCHEMBL13459258 0.65
SCHEMBL3100377 0.61 ALDH1A1 (0.47) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL2444646 0.61 L3MBTL1 (0.46) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL1673188 0.61 POLB (0.64) ALDH1A1HSD17B10HPGDPOLBHTT
SCHEMBL4403974 0.60 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL2444986 0.60 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL957228 0.59 POLB (0.42) HSD17B10SMN1; SMN2POLB
SCHEMBL25328666 0.59
SCHEMBL14048620 0.59 CYP1A2 (0.37) ALDH1A1SMN1; SMN2HTTGAACYP1A2

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 7 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
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 ALDH1A1 573/4885HSD17B10 162/4885KDM4E 2823/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT ALDH1A1 573/4885HSD17B10 162/4885KDM4E 2823/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT ALDH1A1 573/4885HSD17B10 162/4885KDM4E 2823/4885

“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.