SCHEMBL4398899

SCHEMBL4398899

COc1nn(-c2ccc([N+](=O)[O-])c(OC)c2)c(=O)o1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 2/20 0.65
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
MGLL Q99685 4/20 0.51
FAAH O00519 2/20 0.50
SIRT6 Q8N6T7 1/20 0.50
MAPT P10636 2/20 0.43
LPL P06858 1/20 0.42
LIPC P11150 1/20 0.42
LIPE Q05469 1/20 0.42
TDP1 Q9NUW8 2/20 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
SCHEMBL7048013 0.88 ABHD16A (0.65) ABHD16AALDH1A1LMNAMGLLFAAH
SCHEMBL7040780 0.86 ABHD16A (0.63) ABHD16AMGLLFAAHLPLLIPC
SCHEMBL2853190 0.84 ABHD16A (0.49) ABHD16AALDH1A1LMNAMGLLSIRT6
SCHEMBL7043172 0.83 ABHD16A (0.57) ABHD16AMGLLFAAHMAPTLIPC
SCHEMBL2237968 0.80 ABHD16A (0.72) ABHD16AALDH1A1LMNAMGLLFAAH
SCHEMBL4404667 0.79 ABHD16A (0.59) ABHD16AALDH1A1MGLLFAAHLPL
Hydrochloric Acid SCHEMBL5425491 0.78 ABHD16A (0.58) ABHD16AALDH1A1MGLLFAAHLPL
SCHEMBL2855611 0.76 ABHD16A (0.50) ABHD16AMGLLFAAH
SCHEMBL2853363 0.75 ABHD16A (0.44) ABHD16AMGLLTDP1
SCHEMBL2235103 0.72 ABHD16A (0.74) ABHD16AALDH1A1MGLLFAAHLPL

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 ABHD16A 3526/4885ALDH1A1 435/4885LMNA 3448/4885
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SLC5A2, CYP1B1, CYP2C19 ABHD16A 3430/4885ALDH1A1 259/4885LMNA 3499/4885

“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.