SCHEMBL4403596

SCHEMBL4403596

O=C(O)C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.74
KMT2A Q03164 2/20 0.60
GAA P10253 1/20 0.57
POLB P06746 2/20 0.57
MAPT P10636 7/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
SERPINE1 P05121 5/20 0.54
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CTPS1 P17812 1/20 0.51
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL2559246 0.90 TDP1 (0.63) TDP1KMT2AGAAPOLBMAPT
SCHEMBL30784403 0.85 MAPT (0.70) TDP1KMT2AGAAPOLBMAPT
SCHEMBL4403599 0.85 MAPT (0.58) TDP1KMT2AGAAPOLBMAPT
SCHEMBL29788065 0.84 TDP1 (0.74) TDP1KMT2AGAAPOLBMAPT
SCHEMBL2039778 0.84 TDP1 (0.74) TDP1KMT2AGAAPOLBMAPT
SCHEMBL2636213 0.84 TDP1 (0.74) TDP1KMT2AGAAPOLBMAPT
SCHEMBL2039548 0.84 MAPT (0.80) TDP1KMT2AGAAPOLBMAPT
SCHEMBL29788183 0.84 MAPT (0.80) TDP1KMT2AGAAPOLBMAPT
SCHEMBL31250016 0.82 MAPT (0.54) TDP1KMT2AGAAPOLBMAPT
SCHEMBL3435055 0.82 MAPT (0.74) TDP1KMT2APOLBMAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523475-B1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-12-23 EP disclosed
CN-1304371-C Heterocyclically substituted benzoylureas, medicaments thereof and use for producing medicaments AVENTIS PHARMA GMBH (DE) 2007-03-14 CN disclosed
US-20070021474-A1 Heterocyclically Substituted Benzoylureas, Process For Their Preparation and Their Use as Pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-25 US disclosed
US-7138414-B2 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-21 US disclosed
CN-1668593-A Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals AVENTIS PHARMA GMBH (DE) 2005-09-14 CN disclosed
EP-1523475-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2005-04-20 EP disclosed
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-05 US disclosed
WO-2004007455-A1 HETEROCYCLICALLY SUBSTITUTED BENZOYLUREAS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 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 (2 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-20070021474-A1 Heterocyclically Substituted Benzoylureas, Process For Their Preparation and Their Use as Pharmaceuticals SLC5A2, CYP1A2, HBB TDP1 3078/4885KMT2A 2633/4885GAA 712/4885
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SLC5A2, CYP1B1, CYP2C19 TDP1 2188/4885KMT2A 3209/4885GAA 728/4885

“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.