SCHEMBL6233538

SCHEMBL6233538

O=c1[nH]sc2c([N+](=O)[O-])cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALDH1A1 P00352 5/20 0.50
▸ PARP1 P09874 1/20 0.49
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ NOS1 P29475 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ DDAH1 O94760 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CASP3 P42574 1/20 0.43

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
SCHEMBL10585273 0.72 ALDH1A1 (0.43) TDP1ALDH1A1PARP1MAPTKDM4E
SCHEMBL9455748 0.72 ALDH1A1 (0.50) TDP1ALDH1A1PARP1MAPTKDM4E
SCHEMBL28027350 0.71 TDP1 (0.73) TDP1ALDH1A1PARP1MAPTKDM4E
SCHEMBL20022717 0.71 KDM4E (0.48) ALDH1A1PARP1MAPTKDM4EMAPK1
SCHEMBL1412268 0.71 ALDH1A1 (0.48) ALDH1A1PARP1MAPTKDM4EDDAH1
SCHEMBL6232605 0.71 ALDH1A1 (0.48) ALDH1A1PARP1MAPTKDM4ECYP1A2
SCHEMBL29475175 0.70 TDP1 (1.00) TDP1ALDH1A1PARP1NOS1CYP3A4
SCHEMBL57166 0.70 TDP1 (1.00) TDP1ALDH1A1PARP1NOS1CYP3A4
SCHEMBL29804662 0.69 TDP1 (0.52) TDP1ALDH1A1PARP1MAPTKDM4E
SCHEMBL28093598 0.68 TDP1 (0.95) TDP1ALDH1A1PARP1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664404-B2 Method for producing 3-halo-1,2-benzisothiazoles SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2014-03-04 — — US claimed
WO-2015055293-A1 METHOD FOR THE PREPARATION OF 1,2-BENZISOTHIAZOLIN-3-ONES THOR GMBH (DE) 2015-04-23 — — WO disclosed
EP-2554543-B1 METHOD FOR PRODUCING 3-HALO-1,2-BENZISOTHIAZOLES SUMITOMO SEIKA CHEMICALS (JP) 2015-01-21 — — EP disclosed
US-8802862-B2 1,2-benzisothiazol-3-one compound production method SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2014-08-12 — — US disclosed
US-8664404-B2 Method for producing 3-halo-1,2-benzisothiazoles SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2014-03-04 — — US disclosed
EP-2687520-A1 METHOD FOR PRODUCING 1,2-BENZISOTHIAZOL-3-ONE COMPOUND Sumitomo Seika Chemicals Co., Ltd. (JP) 2014-01-22 — — EP disclosed
EP-2687519-A1 1,2-BENZISOTHIAZOL-3-ONE COMPOUND PRODUCTION METHOD Sumitomo Seika Chemicals CO. LTD. (JP) 2014-01-22 — — EP disclosed
US-20130345433-A1 1,2-BENZISOTHIAZOL-3-ONE COMPOUND PRODUCTION METHOD SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-12-26 — — US disclosed
US-20130345434-A1 METHOD FOR PRODUCING 1,2-BENZISOTHIAZOL-3-ONE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-12-26 — — US disclosed
EP-2554543-A1 METHOD FOR PRODUCING 3-HALO-1,2-BENZISOTHIAZOLES Sumitomo Seika Chemicals Co., Ltd. (JP) 2013-02-06 — — EP disclosed
US-20130005983-A1 METHOD FOR PRODUCING 3-HALO-1,2-BENZISOTHIAZOLES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-01-03 — — US disclosed
EP-1081141-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2005-05-04 — — EP disclosed
EP-0702008-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 2001-08-29 — — EP disclosed
EP-1081141-A1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2001-03-07 — — EP disclosed
US-5773626-A HALOGENATION OF A 2-(ALKYLTHIO)BENZALDEHYDE OXIME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-06-30 — — US disclosed
US-5633384-A FROM O-ALKYLTHIOBENZONITRILES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-27 — — US disclosed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 — — EP 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 (3 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-20130005983-A1 METHOD FOR PRODUCING 3-HALO-1,2-BENZISOTHIAZOLES NAT1, BPNT1, CBR1 TDP1 1766/4885ALDH1A1 88/4885PARP1 3771/4885
US-20130345434-A1 METHOD FOR PRODUCING 1,2-BENZISOTHIAZOL-3-ONE COMPOUND TST, SOAT1, BZW2 TDP1 3329/4885ALDH1A1 81/4885PARP1 1434/4885
US-20130345433-A1 1,2-BENZISOTHIAZOL-3-ONE COMPOUND PRODUCTION METHOD BZW1, BZW2, NAT1 TDP1 2358/4885ALDH1A1 598/4885PARP1 544/4885

“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.

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