Benzo[D]Isoxazole

Benzo[D]Isoxazole

SCHEMBL5697385

CS(=O)(=O)[O-].[Na+].c1ccc2oncc2c1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of Benzo[D]Isoxazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB known ✓ P27338 2/20 0.33
CYP3A4 P08684 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 5/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
PTGS2 P35354 2/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOA P21397 1/20 0.33
CA2 P00918 4/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CA1 P00915 3/20 0.31
CA9 Q16790 3/20 0.31
MEN1 O00255 1/20 0.31

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
Benzo[D]Isoxazole SCHEMBL5697378 0.87 NPC1 (0.40) SMN1; SMN2LMNANPC1RAB9AGAA
Benzo[D]Isoxazole SCHEMBL5773958 0.87 TDP1 (0.34) LMNANPC1RAB9APTGS2GAA
Benzo[D]Isoxazole SCHEMBL5918862 0.86 NPC1 (0.39) SMN1; SMN2LMNANPC1RAB9AGAA
Benzo[D]Isoxazole SCHEMBL6298798 0.86 RAB9A (0.39) SMN1; SMN2LMNANPC1RAB9AGAA
Benzo[D]Isoxazole SCHEMBL5697384 0.86 NPC1 (0.39) SMN1; SMN2LMNANPC1RAB9AGAA
Benzo[D]Isoxazole SCHEMBL1355530 0.82
Benzo[D]Isoxazole SCHEMBL8438 0.82
Benzo[D]Isoxazole SCHEMBL29366929 0.82
Benzo[D]Isoxazole SCHEMBL5773956 0.81 TDP1 (0.35) SMN1; SMN2LMNANPC1RAB9ATDP1
Benzo[D]Isoxazole SCHEMBL27515218 0.81 CA12 (0.35) SMN1; SMN2LMNANPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287535-A1 Process for the manufacture of 1,2-benzisoxazole-3-methanesulphonamide WOCKHARDT LIMITED 2006-12-21 US claimed
EP-1682522-A1 A PROCESS FOR THE MANUFACTURE OF ZONISAMIDE Wockhardt Limited (IN) 2006-07-26 EP claimed
US-6936720-B2 Method for preparing benzisoxazole methane sulfonyl chloride and its amidation to form zonisamide TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-08-30 US claimed
WO-2005044808-A1 A PROCESS FOR THE MANUFACTURE OF ZONISAMIDE WOCKHARDT LIMITED (IN) 2005-05-19 WO claimed
US-20060287535-A1 Process for the manufacture of 1,2-benzisoxazole-3-methanesulphonamide WOCKHARDT LIMITED 2006-12-21 US disclosed
EP-1682522-A1 A PROCESS FOR THE MANUFACTURE OF ZONISAMIDE Wockhardt Limited (IN) 2006-07-26 EP disclosed
WO-2005044808-A1 A PROCESS FOR THE MANUFACTURE OF ZONISAMIDE WOCKHARDT LIMITED (IN) 2005-05-19 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-20060287535-A1 Process for the manufacture of 1,2-benzisoxazole-3-methanesulphonamide GABRE, CA3, GABRA1 MAOB 2963/4885CYP3A4 205/4885BLM 4260/4885

“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.