SCHEMBL159777

SCHEMBL159777

COC(=O)CCCc1nnc(-c2ccc(N)cc2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC8 Q9BY41 5/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL162484 0.83 HDAC8 (0.56) NR1H4MAPTNPC1RAB9AALDH1A1
SCHEMBL562313 0.79 ALDH1A1 (0.62) NR1H4MAPTNPC1RAB9AALDH1A1
SCHEMBL4788167 0.78 NPC1 (0.56) NR1H4MAPTNPC1RAB9AALDH1A1
SCHEMBL9250754 0.77 KMT2A (0.49) NR1H4MAPTNPC1RAB9AALDH1A1
SCHEMBL164623 0.76 KDM4E (0.54) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL161385 0.76 HDAC1 (0.56) MAPTNPC1RAB9AALDH1A1HDAC8
SCHEMBL157991 0.76 DDX3X (0.58) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9407970 0.76 SPHK1 (0.44) NR1H4MAPTNPC1RAB9AALDH1A1
SCHEMBL1310411 0.75 EPHX2 (0.45) HDAC1HDAC2
SCHEMBL162028 0.74 DDX3X (0.52) MAPTNPC1RAB9AALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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 (1 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 NR1H4 445/4885MAPT 137/4885NPC1 86/4885

“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.