SCHEMBL12426115

SCHEMBL12426115

CC(C)(C)c1ccc(CNc2noc3cc(Br)ccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
KCNA5 P22460 1/20 0.40
LMNA P02545 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MAPT P10636 2/20 0.34
EGFR P00533 1/20 0.34
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2198502 0.82 EPHX2 (0.55) EPHX2KCNA5LMNAMEN1KMT2A
SCHEMBL12426108 0.79 KCNA5 (0.48) EPHX2KCNA5HTTCYP1A2
SCHEMBL2198702 0.78 HIF1A (0.52) EPHX2KCNA5LMNAMEN1KMT2A
SCHEMBL2199294 0.77 EPHX2 (0.47) EPHX2KCNA5LMNAMEN1KMT2A
SCHEMBL2440209 0.77 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2TRPV1RAB9A
SCHEMBL2196423 0.76 EPHX2 (0.61) EPHX2KCNA5LMNAMEN1KMT2A
SCHEMBL2768071 0.73 EIF2AK1 (0.40) EPHX2KCNA5LMNAHTTSMN1; SMN2
SCHEMBL26633206 0.72 EPHX2 (0.39) EPHX2HTTALDH1A1
SCHEMBL2770058 0.72 INSR (0.44) SMN1; SMN2EGFRALDH1A1APP
SCHEMBL2767896 0.70 EPHX2 (0.49) EPHX2LMNAMEN1KMT2AHTT

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 5 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 disclosed
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
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

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 3605/4885KCNA5 231/4885LMNA 2369/4885

“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.