SCHEMBL4226643

SCHEMBL4226643

CCOc1cc(NC(=O)NC(CC)CC)c(F)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.44
TBXA2R P21731 3/20 0.43
KMT2A Q03164 5/20 0.42
POLB P06746 2/20 0.42
HSPB1 P04792 1/20 0.41
MEN1 O00255 4/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MYOC Q99972 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL4232323 0.91 TAS1R3 (0.53) PKMALDH1A1TAS1R3TAS1R1ATM
SCHEMBL4227920 0.87 TAS1R3 (0.47) PKMALDH1A1TAS1R3TAS1R1GAA
SCHEMBL4229012 0.86 PKM (0.50) PKMALDH1A1TAS1R3TAS1R1GAA
SCHEMBL4683388 0.86 HSPB1 (0.45) PKMALDH1A1ATMGAATBXA2R
SCHEMBL4683383 0.86 HSPB1 (0.45) PKMALDH1A1ATMGAATBXA2R
SCHEMBL4785116 0.85 TBXA2R (0.58) TBXA2RPOLB
SCHEMBL4240960 0.84 PKM (0.58) PKMALDH1A1TAS1R3TAS1R1ATM
SCHEMBL4237099 0.83 KMT2A (0.50) PKMALDH1A1GAATBXA2RKMT2A
SCHEMBL4786973 0.80 HSPB1 (0.52) PKMALDH1A1TAS1R3TAS1R1GAA
SCHEMBL4227202 0.80 MAPT (0.48) ALDH1A1GAATBXA2RKMT2APOLB

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
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-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 1734/4885ALDH1A1 4542/4885TAS1R3 1436/4885

“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.