SCHEMBL2195533

SCHEMBL2195533

O=C(Nc1noc2cc(-c3ccc(Cl)cc3)ccc12)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 7/20 0.52
TP53 P04637 6/20 0.52
MAPT P10636 1/20 0.49
HDAC6 Q9UBN7 2/20 0.48
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR3 P22607 1/20 0.47
SUCNR1 Q9BXA5 2/20 0.46
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ADORA3 P0DMS8 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL2197681 0.91 TP53 (0.53) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL2197597 0.88 NPC1 (0.56) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL8282242 0.79 TP53 (0.78) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL2197369 0.78 HDAC6 (0.56) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL2438693 0.78 TP53 (0.51) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL2441870 0.76 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL2440616 0.75 SMN1; SMN2 (0.64) SMN1; SMN2TP53MAPTKDM4ENPC1
SCHEMBL2198240 0.75 ALDH1A1 (0.54) KMT2AMAPTKDM4ENPSR1ALDH1A1
SCHEMBL2437430 0.74 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL2440561 0.74 SMN1; SMN2 (0.53) SMN1; SMN2TP53MAPTNPC1RAB9A

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 MEN1 4544/4885KMT2A 2664/4885SMN1; SMN2 4772/4885

“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.