SCHEMBL3832379

SCHEMBL3832379

COC(=O)C=Cc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.50
ALDH1A1 P00352 8/20 0.49
MAPT P10636 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.49
HSP90AA1 P07900 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NLRP1 Q9C000 1/20 0.49
HTT P42858 2/20 0.48
CYP3A4 P08684 3/20 0.47
ALOX15 P16050 2/20 0.47
GAA P10253 2/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.44
TP53 P04637 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
SCHEMBL4572729 1.00 TDP1 (0.50) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL12954445 0.85 KMT2A (0.51) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5509505 0.84 ALDH1A1 (0.52) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3928524 0.84 ALDH1A1 (0.50) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL14384259 0.84 ALDH1A1 (0.52) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11938125 0.84 ALDH1A1 (0.50) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3919839 0.84 ALDH1A1 (0.50) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL5509506 0.84 ALDH1A1 (0.52) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL4019893 0.84 ALDH1A1 (0.50) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1531400 0.83 TYR (0.58) TDP1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247452-B2 Urea- and urethane-substituted acylureas, process for their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-08-21 US disclosed
EP-1523471-B1 UREA-SUBSTITUTED AND URETHANE-SUBSTITUTED ACYLUREAS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-16 EP disclosed
US-20080033042-A1 UREA-AND URETHANE-SUBSTITUTED ACYLUREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-02-07 US disclosed
US-7262220-B2 Urea- and urethane-substituted acylureas, process for their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-28 US disclosed
WO-2004007437-A9 UREA-SUBSTITUTED AND URETHANE-SUBSTITUTED ACYLUREAS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2007-08-16 WO disclosed
EP-1513800-B1 N-BENZOYLUREIDOCINNAMATE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2006-11-15 EP disclosed
US-7049341-B2 N-benzoylureidocinnamic acid derivatives, processes for preparing them and their use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-05-23 US disclosed
EP-1523471-A1 UREA-SUBSTITUTED AND URETHANE-SUBSTITUTED ACYLUREAS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2005-04-20 EP disclosed
EP-1513800-A1 N-BENZOYLUREIDOCINNAMATE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF Aventis Pharma Deutschland GmbH (DE) 2005-03-16 EP disclosed
US-20040102518-A1 N-benzoylureidocinnamic acid derivatives, processes for preparing them and their use AVENTIS PHARMA AG (DE) 2004-05-27 US disclosed
US-20040087659-A1 Urea- and urethane-substituted acylureas, process for their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-05-06 US disclosed
WO-2004007437-A1 UREA-SUBSTITUTED AND URETHANE-SUBSTITUTED ACYLUREAS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 WO disclosed
WO-2003104188-A1 N-BENZOYLUREIDOCINNAMATE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-18 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 (3 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-20040102518-A1 N-benzoylureidocinnamic acid derivatives, processes for preparing them and their use SLC5A1, NQO1, SLC5A2 TDP1 3454/4885ALDH1A1 230/4885MAPT 4812/4885
US-20040087659-A1 Urea- and urethane-substituted acylureas, process for their preparation and their use UGP2, UGDH, UGT1A1 TDP1 1936/4885ALDH1A1 143/4885MAPT 2385/4885
US-20080033042-A1 UREA-AND URETHANE-SUBSTITUTED ACYLUREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE UGP2, UGDH, UMPS TDP1 2478/4885ALDH1A1 239/4885MAPT 2069/4885

“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.