SCHEMBL4240960

SCHEMBL4240960

CCC(CC)NC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.58
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
ATM Q13315 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 6/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
HTT P42858 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 3/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
MYOC Q99972 1/20 0.47
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
RAF1 P04049 1/20 0.43
HSPB1 P04792 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
SCHEMBL4228345 0.88 MAPT (0.53) PKMTAS1R3TAS1R1ATMALDH1A1
SCHEMBL4232323 0.85 TAS1R3 (0.53) PKMTAS1R3TAS1R1ATMALDH1A1
SCHEMBL4236455 0.84 PKM (0.63) PKMTAS1R3TAS1R1SMN1; SMN2MAPK1
SCHEMBL4785963 0.84 PKM (0.63) PKMTAS1R3TAS1R1SMN1; SMN2MAPK1
SCHEMBL4240208 0.84 PKM (0.63) PKMTAS1R3TAS1R1SMN1; SMN2MAPK1
SCHEMBL4226643 0.84 PKM (0.47) PKMTAS1R3TAS1R1ATMALDH1A1
SCHEMBL4785954 0.83 KMT2A (0.70) PKMALDH1A1MAPTMEN1KMT2A
SCHEMBL4813956 0.81 MGLL (0.55) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL4786973 0.81 HSPB1 (0.52) PKMTAS1R3TAS1R1ALDH1A1MAPT
SCHEMBL4227920 0.80 TAS1R3 (0.47) PKMTAS1R3TAS1R1ALDH1A1MAPT

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 1734/4885TAS1R3 1436/4885TAS1R1 1073/4885

“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.