SCHEMBL2818271

SCHEMBL2818271

NC(=O)CCCC[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
BLM P54132 2/20 0.48
LMNA P02545 1/20 0.48
HBB P68871 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.42
SOAT1 P35610 2/20 0.34
FAAH O00519 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 2/20 0.31
TARDBP Q13148 1/20 0.31
ALOX15 P16050 1/20 0.30
PMP22 Q01453 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
SCHEMBL11879024 0.98 ALDH1A1 (0.50) KMT2AMEN1BLMLMNAHBB
SCHEMBL530227 0.92
SCHEMBL9229619 0.84
SCHEMBL8068947 0.81 ALDH1A1 (0.43) KMT2AMEN1BLMLMNAHBB
SCHEMBL9680510 0.80 ALDH1A1 (0.52) KMT2AMEN1BLMLMNAHBB
SCHEMBL5249440 0.80 LMNA (0.68) KMT2AMEN1BLMLMNAHBB
SCHEMBL2372027 0.78 LMNA (0.65) KMT2AMEN1BLMLMNAHBB
SCHEMBL2380101 0.78 LMNA (0.65) KMT2AMEN1BLMLMNAHBB
SCHEMBL2371134 0.78 LMNA (0.65) KMT2AMEN1BLMLMNAHBB
SCHEMBL1119124 0.78 LMNA (0.65) KMT2AMEN1BLMLMNAHBB

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 5 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
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 KMT2A 1379/4885MEN1 3549/4885BLM 4561/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT KMT2A 1379/4885MEN1 3549/4885BLM 4561/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT KMT2A 1379/4885MEN1 3549/4885BLM 4561/4885

“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.