SCHEMBL3832008

SCHEMBL3832008

COc1cc(C(N)=O)c(N)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
POLB P06746 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
HTT P42858 3/20 0.45
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 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
SCHEMBL28560342 0.94 ALDH1A1 (0.46) TDP1POLBKDM4EALDH1A1LMNA
SCHEMBL3829979 0.88 PKM (0.54) TDP1POLBKDM4EALDH1A1LMNA
SCHEMBL6815706 0.87 POLB (0.49) TDP1POLBKDM4EALDH1A1LMNA
SCHEMBL5165175 0.86 KDM4E (0.66) POLBKDM4EALDH1A1L3MBTL1HTT
SCHEMBL4639621 0.84 MAPT (0.47) TDP1POLBKDM4EALDH1A1LMNA
SCHEMBL23163264 0.83 LCK (0.46) TDP1POLBKDM4EALDH1A1LMNA
SCHEMBL3798479 0.83 POLB (0.45) TDP1POLBKDM4EALDH1A1LMNA
SCHEMBL348156 0.82 LMNA (0.57) TDP1POLBKDM4EALDH1A1LMNA
SCHEMBL11555366 0.81 HTT (0.55) TDP1POLBKDM4EALDH1A1LMNA
SCHEMBL9793645 0.81 ALDH1A1 (0.46) TDP1POLBKDM4EALDH1A1LMNA

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
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-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
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

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-20040087659-A1 Urea- and urethane-substituted acylureas, process for their preparation and their use UGP2, UGDH, UGT1A1 TDP1 1936/4885POLB 2016/4885KDM4E 969/4885
US-20080033042-A1 UREA-AND URETHANE-SUBSTITUTED ACYLUREAS, PROCESS FOR THEIR PREPARATION AND THEIR USE UGP2, UGDH, UMPS TDP1 2478/4885POLB 2082/4885KDM4E 993/4885

“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.