SCHEMBL4399573

SCHEMBL4399573

Cc1cc(=O)n(-c2ccc([N+](=O)[O-])c(C)c2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 6/20 0.53
HTT P42858 5/20 0.53
KDM4E B2RXH2 5/20 0.53
MEN1 O00255 4/20 0.53
GAA P10253 3/20 0.53
HPGD P15428 1/20 0.51
LMNA P02545 4/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALKBH5 Q6P6C2 3/20 0.43
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
NSD2 O96028 1/20 0.40

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
SCHEMBL15124575 0.90 MAPT (0.54) MAPTALDH1A1KMT2AHTTKDM4E
SCHEMBL2435022 0.80 MAPT (0.61) MAPTALDH1A1KMT2AHTTKDM4E
SCHEMBL407942 0.79 ALKBH5 (0.64) MAPTALDH1A1KMT2AHTTKDM4E
SCHEMBL4748711 0.77 MAPT (0.57) MAPTALDH1A1KMT2AHTTKDM4E
SCHEMBL4412164 0.75 ALDH1A1 (0.58) MAPTALDH1A1KMT2AHTTKDM4E
SCHEMBL7252767 0.75 ALDH1A1 (0.59) MAPTALDH1A1KMT2AHTTKDM4E
SCHEMBL11756087 0.74 ALDH1A1 (0.51) MAPTALDH1A1KMT2AHTTKDM4E
SCHEMBL486125 0.72 MAPT (0.73) MAPTALDH1A1KMT2AHTTKDM4E
SCHEMBL9815245 0.72 MAPT (0.58) MAPTALDH1A1KMT2AHTTKDM4E
SCHEMBL12680066 0.72 HPGD (0.52) MAPTALDH1A1KMT2AHTTKDM4E

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 6 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
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
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 MAPT 4315/4885ALDH1A1 435/4885KMT2A 2633/4885
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SLC5A2, CYP1B1, CYP2C19 MAPT 4316/4885ALDH1A1 259/4885KMT2A 3209/4885

“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.