SCHEMBL2194246

SCHEMBL2194246

Cc1ccccc1-c1ccc2c(NCc3ccc(C#N)cc3)noc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
ALDH1A1 P00352 6/20 0.40
CYP3A4 P08684 6/20 0.40
TSHR P16473 6/20 0.40
MAPK1 P28482 5/20 0.40
CYP2D6 P10635 5/20 0.40
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
HSD17B10 Q99714 4/20 0.40
LMNA P02545 4/20 0.40
USP2 O75604 3/20 0.40
TP53 P04637 3/20 0.40
USP1 O94782 2/20 0.40
WDR48 Q8TAF3 2/20 0.40
CYP1A2 P05177 5/20 0.39
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL2197416 0.88 EPHX2 (0.45) EPHX2ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2201030 0.86 CYP3A4 (0.47) EPHX2ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2198662 0.85 CYP3A4 (0.47) EPHX2ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2198139 0.82 CYP3A4 (0.52) ALDH1A1CYP3A4TSHRMAPK1CYP2D6
SCHEMBL2198418 0.81 PDE5A (0.42) EPHX2ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2196713 0.80 BRD4 (0.46) ALDH1A1CYP3A4TSHRMAPK1CYP2D6
SCHEMBL2197577 0.80 CYP3A4 (0.62) ALDH1A1CYP3A4TSHRMAPK1CYP2D6
SCHEMBL2196718 0.78 TSHR (0.44) EPHX2ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2196960 0.74 CYP1A2 (0.60) EPHX2ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2198123 0.74 HPGD (0.54) EPHX2ALDH1A1CYP3A4TSHRMAPK1

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 EPHX2 3605/4885ALDH1A1 1855/4885CYP3A4 716/4885

“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.