SCHEMBL2198508

SCHEMBL2198508

Clc1ccc(-c2ccc3c(NCc4cccc(Cl)c4)noc3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.46
LMNA P02545 1/20 0.46
PDE5A O76074 1/20 0.46
GAA P10253 1/20 0.44
APP P05067 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CLK4 Q9HAZ1 3/20 0.43
ABL1 P00519 1/20 0.41
GRM4 Q14833 1/20 0.41
PDE2A O00408 1/20 0.41
RAF1 P04049 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 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
SCHEMBL2198386 0.94 PDE5A (0.53) BRD4LMNAPDE5AGAAAPP
SCHEMBL2198240 0.90 ALDH1A1 (0.54) LMNAPDE5AGAAAPPKMT2A
SCHEMBL2199265 0.90 CLK4 (0.51) BRD4LMNAKMT2AALDH1A1HPGD
SCHEMBL2197333 0.88 PDE5A (0.48) BRD4PDE5AGAAAPPKMT2A
SCHEMBL2198146 0.85 CLK4 (0.50) LMNAPDE5AGAAKMT2AALDH1A1
SCHEMBL2199244 0.84 GAA (0.47) BRD4LMNAPDE5AGAAAPP
SCHEMBL2196713 0.84 BRD4 (0.46) BRD4LMNAPDE5AGAAAPP
SCHEMBL2198322 0.84 EPHX2 (0.48) LMNAKMT2AALDH1A1HPGDNPSR1
SCHEMBL2198418 0.80 PDE5A (0.42) BRD4LMNAPDE5AKMT2AALDH1A1
SCHEMBL2197915 0.80 CLK4 (0.52) LMNAAPPKMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977360-B2 Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2011-07-12 US claimed
EP-1888541-B1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2009-02-12 US claimed
EP-1888541-A1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122799-A1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2006-11-23 WO claimed
US-7977360-B2 Benzo[d]isoxazol-3-yl-amine compounds and their use as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2011-07-12 US disclosed
EP-1888541-B1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2009-08-05 EP disclosed
US-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2009-02-12 US disclosed
EP-1888541-A1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006122799-A1 BENZO(D)ISOXAZOL-3-YL-AMINE COMPOUNDS AND THEIR USE AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2006-11-23 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 (1 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-20090042945-A1 Benzo[d]isoxazol-3-yl-amine Compounds and Their Use as Vanilloid Receptor Ligands TRPV1, TRPV3, TRPV5 BRD4 241/4885LMNA 2369/4885PDE5A 1767/4885

“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.