SCHEMBL161385

SCHEMBL161385

COC(=O)CCCc1nc(-c2ccc(N)cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.56
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 2/20 0.54
ATM Q13315 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SIRT2 Q8IXJ6 2/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC8 Q9BY41 2/20 0.53
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL563342 0.87 ALDH1A1 (0.73) HDAC1ALDH1A1LMNAATMHDAC2
SCHEMBL162090 0.83 SIRT2 (0.69) HDAC1ALDH1A1MEN1KMT2ALMNA
SCHEMBL6333033 0.81 LMNA (0.61) HDAC1ALDH1A1LMNAATMNPC1
SCHEMBL4564362 0.79 HPGD (0.68) HDAC1ALDH1A1MEN1KMT2ALMNA
SCHEMBL6325140 0.79 LMNA (0.58) HDAC1ALDH1A1MEN1KMT2ALMNA
SCHEMBL17978547 0.78 NPC1 (0.57) ALDH1A1ATMNPC1RAB9ASIRT2
SCHEMBL159179 0.78 TP53 (0.51) HDAC1ALDH1A1MEN1KMT2ALMNA
SCHEMBL6326028 0.78 LMNA (0.57) HDAC1ALDH1A1LMNAATMNPC1
SCHEMBL6326185 0.77 TP53 (0.78) HDAC1ALDH1A1MEN1KMT2ALMNA
SCHEMBL161908 0.76 MAPT (0.58) HDAC1ALDH1A1MEN1KMT2ALMNA

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 HDAC1 949/4885ALDH1A1 369/4885MEN1 2803/4885

“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.