SCHEMBL10167563

SCHEMBL10167563

CN(C(=O)OCC(F)(F)F)c1nsc2cccc(Cl)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 3/20 0.35
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 3/20 0.33
RORC P51449 1/20 0.33
USP2 O75604 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
HPGD P15428 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
POLB P06746 1/20 0.32
LIPE Q05469 2/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL10167562 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK1L3MBTL1SCN9A
SCHEMBL10167454 0.81 POLB (0.35) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL350288 0.78 POLB (0.39) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL10167447 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL4387156 0.76 POLB (0.38) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL355455 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL10167565 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL10167449 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL4381746 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL10167655 0.74 P2RX7 (0.37) RORCGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8119568-B2 3-amino-1,2-benzisothiazole compounds for combating animal pest II BASF SE (DE) 2012-02-21 US disclosed
US-20100009848-A1 3-Amino-1,2-Benzisothiazole Compounds for Combating Animal Pest II BASF SE (DE) 2010-01-14 US disclosed
US-20100009848-A1 3-Amino-1,2-Benzisothiazole Compounds for Combating Animal Pest II BASF SE (DE) 2010-01-14 US disclosed
WO-2008090048-A2 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II BASF SE (DE) 2008-07-31 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-20100009848-A1 3-Amino-1,2-Benzisothiazole Compounds for Combating Animal Pest II BPNT1, BCAT1, TGFBR1 ALDH1A1 452/4885KDM4E 3057/4885MAPK1 349/4885

“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.