SCHEMBL292247

SCHEMBL292247

NC(=O)c1ccccc1SCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
POLB P06746 2/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP1A2 P05177 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
SIRT1 Q96EB6 1/20 0.56
HTT P42858 1/20 0.55
CA2 P00918 2/20 0.55
CA4 P22748 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA3 P07451 1/20 0.55
CA6 P23280 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL1901284 0.85 PTPRG (0.67) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL11729716 0.85 KMT2A (0.64) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL7136041 0.83 KMT2A (0.58) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL6937373 0.83 KMT2A (0.70) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL11724672 0.82 KMT2A (0.65) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL6291181 0.82 KMT2A (0.60) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL910935 0.81 CA2 (0.61) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL28109773 0.81 KMT2A (0.64) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL7389895 0.81 PTPRG (0.51) KMT2AMEN1POLBALDH1A1CYP2C9
SCHEMBL911071 0.81 MEN1 (0.64) KMT2AMEN1POLBALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646396-B A kind of synthetic method of benzothiazole derivant 上海应用技术学院 2018-09-14 CN claimed
CN-105646396-A Method for synthesizing benzothiazole derivatives 上海应用技术学院 2016-06-08 CN claimed
EP-0649649-A2 Colloidal, dispersible formulations of active substances BAYER AG (DE) 1995-04-26 EP claimed
CN-105646396-B A kind of synthetic method of benzothiazole derivant 上海应用技术学院 2018-09-14 CN disclosed
CN-105646396-A Method for synthesizing benzothiazole derivatives 上海应用技术学院 2016-06-08 CN disclosed
CN-105646396-A Method for synthesizing benzothiazole derivatives 上海应用技术学院 2016-06-08 CN disclosed
CN-104140386-A Method for preparing 2-benzyl-isothiourea trifluoroacetate SHANGHAI INST TECHNOLOGY 2014-11-12 CN disclosed
EP-2064196-B1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II BASF SE (DE) 2012-03-14 EP disclosed
US-8119568-B2 3-amino-1,2-benzisothiazole compounds for combating animal pest II BASF SE (DE) 2012-02-21 US disclosed
US-8017554-B2 3-amino-1,2-benzisothiazole compounds for combating animal pest BASF SE (DE) 2011-09-13 US disclosed
US-7868017-B2 9-azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2011-01-11 US disclosed
US-20100167922-A1 3-Amino-1,2-benzisothiazole Compounds for Combating Animal Pest BASF SE (DE) 2010-07-01 US disclosed
US-20100009848-A1 3-Amino-1,2-Benzisothiazole Compounds for Combating Animal Pest II BASF SE (DE) 2010-01-14 US disclosed
EP-2003975-B1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST BASF SE (DE) 2009-11-18 EP disclosed
EP-2064196-A2 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II BASF Aktiengesellschaft (DE) 2009-06-03 EP disclosed
EP-2003975-A1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST BASF SE (DE) 2008-12-24 EP disclosed
WO-2008090048-A2 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II BASF SE (DE) 2008-07-31 WO disclosed
WO-2007113119-A1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST BASF SE (DE) 2007-10-11 WO disclosed
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives N.V. ORGANON (NL) 2007-05-17 US disclosed
EP-0111442-A1 N-2-heterocyclyl-phenylsulfonyl-N'-pyrimidinyl and like triazinyl urea CIBA-GEIGY AG (CH) 1984-06-20 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-20100009848-A1 3-Amino-1,2-Benzisothiazole Compounds for Combating Animal Pest II BPNT1, BCAT1, TGFBR1 KMT2A 2749/4885MEN1 3020/4885POLB 4431/4885
US-20100167922-A1 3-Amino-1,2-benzisothiazole Compounds for Combating Animal Pest BPNT1, AADAT, BCAT1 KMT2A 872/4885MEN1 1368/4885POLB 4751/4885
US-20070112019-A1 9-Azabicyclo[3.3.1]nonane derivatives AZI2, TPMT, TET3 KMT2A 844/4885MEN1 1510/4885POLB 649/4885

“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.