SCHEMBL162484

SCHEMBL162484

COC(=O)CCCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.56
MAPT P10636 6/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PKM P14618 1/20 0.49
GSK3B P49841 2/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
PTK2 Q05397 1/20 0.45
HDAC1 Q13547 1/20 0.44
LMNA P02545 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL8880708 0.85 HDAC8 (0.60) HDAC8MAPTALDH1A1NPC1RAB9A
SCHEMBL159777 0.83 NR1H4 (0.47) HDAC8MAPTALDH1A1NPC1RAB9A
SCHEMBL10608257 0.81 MAPT (0.61) HDAC8MAPTALDH1A1NPC1RAB9A
SCHEMBL162090 0.78 SIRT2 (0.69) HDAC8MAPTALDH1A1NPC1RAB9A
SCHEMBL8879931 0.77 HDAC8 (0.62) HDAC8MAPTALDH1A1NPC1RAB9A
SCHEMBL1350599 0.76 MAPT (0.55) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL27930098 0.75 HDAC8 (0.59) HDAC8MAPTALDH1A1NPC1RAB9A
SCHEMBL562313 0.75 ALDH1A1 (0.62) HDAC8MAPTALDH1A1NPC1RAB9A
SCHEMBL31384291 0.75 MAPT (0.56) HDAC8MAPTALDH1A1NPC1RAB9A
SCHEMBL162295 0.74 CSNK2A2 (0.53) MAPTALDH1A1RAB9AMEN1KMT2A

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 HDAC8 1824/4885MAPT 137/4885ALDH1A1 369/4885

“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.