SCHEMBL5427201

SCHEMBL5427201

COC(=O)NNc1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
HTT P42858 2/20 0.48
MAPT P10636 6/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 3/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
ALOX5 P09917 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FBP1 P09467 1/20 0.43
SIRT6 Q8N6T7 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
SCHEMBL20984489 0.91 HTT (0.50) ALDH1A1HTTMAPTTHRBMEN1
SCHEMBL15540491 0.89 ALDH1A1 (0.49) ALDH1A1HTTMAPTTHRBMEN1
SCHEMBL15540490 0.89 ALDH1A1 (0.49) ALDH1A1HTTMAPTTHRBMEN1
SCHEMBL15540104 0.88 ALDH1A1 (0.50) ALDH1A1HTTMAPTTHRBMEN1
SCHEMBL7557518 0.85 HTT (0.45) ALDH1A1HTTMAPTTHRBMEN1
SCHEMBL7047484 0.84 MEN1 (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7044425 0.83 ATM (0.46) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL2828431 0.82 MAPT (0.43) ALDH1A1HTTMAPTTHRBMEN1
SCHEMBL8540751 0.82 ALDH1A1 (0.50) ALDH1A1HTTMAPTTHRBMEN1
SCHEMBL20984695 0.81 ALDH1A1 (0.60) ALDH1A1HTTMAPTTHRBMEN1

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-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
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

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 ALDH1A1 435/4885HTT 934/4885MAPT 4315/4885
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SLC5A2, CYP1B1, CYP2C19 ALDH1A1 259/4885HTT 964/4885MAPT 4316/4885

“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.