Benzo[D]Isoxazole

Benzo[D]Isoxazole

SCHEMBL5697378

CS(=O)(=O)O.c1ccc2oncc2c1

nearest known ligand 0.40

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 1/20 0.36
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
CSF1R P07333 1/20 0.36
ALOX12 P18054 1/20 0.36
MAOA P21397 1/20 0.36
LMNA P02545 4/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 4/20 0.34
BCAT1 P54687 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CA2 P00918 1/20 0.33

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 SCHEMBL6298798 0.98 RAB9A (0.39) NPC1RAB9ACSF1RALOX12MAOA
Benzo[D]Isoxazole SCHEMBL5697384 0.98 NPC1 (0.39) NPC1RAB9ACSF1RALOX12MAOA
Benzo[D]Isoxazole SCHEMBL5918862 0.98 NPC1 (0.39) NPC1RAB9ACSF1RALOX12MAOA
Benzo[D]Isoxazole SCHEMBL2199652 0.89 CA2 (0.41) NPC1RAB9AALOX12MAOBLMNA
Benzo[D]Isoxazole SCHEMBL5773958 0.89 TDP1 (0.34) NPC1RAB9ACSF1RMAOAMAOB
Benzo[D]Isoxazole SCHEMBL5697385 0.87 CYP3A4 (0.36) NPC1RAB9AMAOAMAOBLMNA
Benzo[D]Isoxazole SCHEMBL29366929 0.84
Benzo[D]Isoxazole SCHEMBL1355530 0.84
Benzo[D]Isoxazole SCHEMBL8438 0.84
Benzo[D]Isoxazole SCHEMBL5773956 0.83 TDP1 (0.35) NPC1RAB9AMAOBLMNATDP1

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015330-B2 Sulfonation method for zonisamide intermediate in zonisamide synthesis and their novel crystal forms TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-03-21 US 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
EP-1373229-A4 PROCESS FOR THE PREPARATION OF 1,2-BENZISOXAZOLE-3-ACETIC ACID TEVA PHARMA (IL) 2005-05-04 EP claimed
US-20050027126-A1 Processes for preparing zonisamide intermediates and novel crystalline forms of zonisamide intermediates NIDAM TAMAR (IL) 2005-02-03 US claimed
US-6841683-B2 Sulfonation method for zonisamide intermediate in zonisamide synthesis and their novel crystal forms TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-01-11 US claimed
EP-1430037-A4 ZONISAMIDE INTERMEDIATE AND SYNTHESIS TEVA PHARMA (IL) 2004-11-17 EP claimed
US-20040138471-A1 Novel sulfonation method for zonisamide intermediate in zonisamide synthesis and their novel crystal forms MENDELOVICI MARIOARA (IL) 2004-07-15 US claimed
US-20040138472-A1 Novel sulfonation method for zonisamide intermediate in zonisamide synthesis and their novel crystal forms MENDELOVICI MARIOARA 2004-07-15 US claimed
EP-1430037-A1 ZONISAMIDE INTERMEDIATE AND SYNTHESIS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-06-23 EP claimed
US-20040049053-A1 Process for the prepartion of 1,2-benzisoxazole-3-acetic acid MENDELOVICI MARIOARA (IL) 2004-03-11 US claimed
US-6677458-B2 REACTING 4-HYDROXY-COUMARIN WITH HYDROXYL-AMINE IN THE PRESENCE OF A BASE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-01-13 US claimed
EP-1373229-A1 PROCESS FOR THE PREPARATION OF 1,2-BENZISOXAZOLE-3-ACETIC ACID TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-01-02 EP claimed
US-20030114682-A1 Novel sulfonation method for zonisamide intermediate in zonisamide synthesis and their novel crystal forms TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-06-19 US claimed
WO-2003020708-A1 ZONISAMIDE INTERMEDIATE AND SYNTHESIS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-03-13 WO claimed
US-20020183525-A1 Process for the preparation of 1,2-benzisoxazole-3-acetic acid TEVA PHARMACEUTICALS USA, INC. 2002-12-05 US claimed
WO-2002070495-A1 PROCESS FOR THE PREPARATION OF 1,2-BENZISOXAZOLE-3-ACETIC ACID TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-09-12 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-2002070495-A1 PROCESS FOR THE PREPARATION OF 1,2-BENZISOXAZOLE-3-ACETIC ACID TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-09-12 WO disclosed
WO-2002070495-A1 PROCESS FOR THE PREPARATION OF 1,2-BENZISOXAZOLE-3-ACETIC ACID TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-09-12 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 (7 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-20040138471-A1 Novel sulfonation method for zonisamide intermediate in zonisamide synthesis and their novel crystal forms CA3, ARSA, CBS MAOB 145/4885NPC1 3101/4885RAB9A 1318/4885
US-20040138472-A1 Novel sulfonation method for zonisamide intermediate in zonisamide synthesis and their novel crystal forms CA3, ARSA, CBS MAOB 145/4885NPC1 3101/4885RAB9A 1318/4885
US-20030114682-A1 Novel sulfonation method for zonisamide intermediate in zonisamide synthesis and their novel crystal forms CA3, ARSA, CBS MAOB 145/4885NPC1 3101/4885RAB9A 1318/4885
US-20040049053-A1 Process for the prepartion of 1,2-benzisoxazole-3-acetic acid HAO2, CYP4X1, CYP2S1 MAOB 1921/4885NPC1 2871/4885RAB9A 4611/4885
US-20020183525-A1 Process for the preparation of 1,2-benzisoxazole-3-acetic acid HAO2, CYP2S1, CYP4X1 MAOB 1426/4885NPC1 1971/4885RAB9A 4685/4885
US-20050027126-A1 Processes for preparing zonisamide intermediates and novel crystalline forms of zonisamide intermediates CA3, BCHE, CA1 MAOB 95/4885NPC1 3050/4885RAB9A 1116/4885
US-20060287535-A1 Process for the manufacture of 1,2-benzisoxazole-3-methanesulphonamide GABRE, CA3, GABRA1 MAOB 2963/4885NPC1 1511/4885RAB9A 472/4885

“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.