SCHEMBL4236591

SCHEMBL4236591

CCC(CC)NC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
MEN1 O00255 10/20 0.53
KMT2A Q03164 10/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 6/20 0.52
MAPK1 P28482 5/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MYOC Q99972 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
RAF1 P04049 1/20 0.47
TBXA2R P21731 3/20 0.46
POLB P06746 4/20 0.46
PDGFRA P16234 1/20 0.46
KDR P35968 1/20 0.46
ALDH1A1 P00352 1/20 0.44
BLM P54132 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43

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
SCHEMBL4233910 0.94 MEN1 (0.54) PKMMEN1KMT2AGAAMAPT
SCHEMBL4227907 0.89 MEN1 (0.55) PKMMEN1KMT2AMAPTMAPK1
SCHEMBL4235514 0.87 MEN1 (0.56) PKMMEN1KMT2AMAPTMAPK1
SCHEMBL4785954 0.86 KMT2A (0.70) PKMMEN1KMT2AMAPTMAPK1
SCHEMBL4233889 0.85 KMT2A (0.52) PKMMEN1KMT2AGAAMAPT
SCHEMBL4228345 0.85 MAPT (0.53) PKMMEN1KMT2AGAAMAPT
SCHEMBL11832700 0.84 MEN1 (0.59) PKMMEN1KMT2AGAAMAPT
SCHEMBL4787992 0.84 KMT2A (0.55) PKMMEN1KMT2AGAAMAPT
SCHEMBL4786973 0.84 HSPB1 (0.52) PKMMEN1KMT2AGAAMAPT
SCHEMBL4232078 0.84 KMT2A (0.55) PKMMEN1KMT2AGAAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R PKM 1734/4885MEN1 2447/4885KMT2A 3436/4885

“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.