SCHEMBL299336

SCHEMBL299336

Nc1n[s+]([O-])c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
GAA P10253 3/20 0.34
PDPK1 O15530 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 4/20 0.33
MAPT P10636 3/20 0.33
DCPS Q96C86 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
F12 P00748 1/20 0.33
PLAU P00749 1/20 0.33
NCF1 P14598 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
BACE1 P56817 1/20 0.33
HPGD P15428 3/20 0.32

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
SCHEMBL10833398 0.74 CYP1A2 (0.33) MAOATDP1
SCHEMBL1576553 0.74 GPR3 (0.34) ALDH1A1HSD17B10HPGDKMT2A
SCHEMBL8573686 0.71 ALDH1A1 (0.38) KDM4EGAAALDH1A1HSD17B10MAPT
SCHEMBL31307786 0.69 ALDH1A1 (0.45) KDM4ECYP3A4ALDH1A1HSD17B10MAPT
SCHEMBL10833787 0.68 TDP1 (0.36) KDM4ECYP3A4ALDH1A1MAPTGLA
SCHEMBL11437065 0.66 GAA (0.41) KDM4EGAACYP3A4ALDH1A1HPGD
SCHEMBL30286606 0.63 CYP2A6 (0.33) ALDH1A1HSD17B10TDP1TSHR
SCHEMBL205562 0.63 CYP2A6 (0.33) ALDH1A1HSD17B10TDP1TSHR
SCHEMBL221530 0.59 KDM4E (1.00) KDM4EGAAPDPK1CYP3A4ALDH1A1
SCHEMBL31416835 0.59 KDM4E (1.00) KDM4EGAAPDPK1CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948570-A1 METHOD FOR PREPARING LIGHT-ABSORBING POLYMERIC COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1999-10-13 EP claimed
WO-1998023690-A1 METHOD FOR PREPARING LIGHT-ABSORBING POLYMERIC COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1998-06-04 WO claimed
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-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-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
EP-0948570-A1 METHOD FOR PREPARING LIGHT-ABSORBING POLYMERIC COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1999-10-13 EP disclosed
WO-1998023690-A1 METHOD FOR PREPARING LIGHT-ABSORBING POLYMERIC COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1998-06-04 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 (2 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 KDM4E 3057/4885GAA 3807/4885PDPK1 1982/4885
US-20100167922-A1 3-Amino-1,2-benzisothiazole Compounds for Combating Animal Pest BPNT1, AADAT, BCAT1 KDM4E 1001/4885GAA 4366/4885PDPK1 2432/4885

“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.