SCHEMBL2175729

SCHEMBL2175729

CCOc1cn[c]c(SC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.35
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 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
SCHEMBL2179099 0.80 MAPK1 (0.33) NQO1
SCHEMBL2179242 0.79 ALDH1A1 (0.33) L3MBTL1ALDH1A1
SCHEMBL2177255 0.76 NQO1 (0.39) NQO1SMN1; SMN2CYP11B1CYP11B2CHRNB2
SCHEMBL2178741 0.76 NQO1 (0.39) NQO1SMN1; SMN2CYP11B1CYP11B2CHRNB2
SCHEMBL2178430 0.74 NQO1 (0.38) NQO1SMN1; SMN2CYP11B1CYP11B2CHRNB2
SCHEMBL2178735 0.74 NQO1 (0.38) NQO1SMN1; SMN2CYP11B1CYP11B2KMT2A
SCHEMBL2178393 0.74
SCHEMBL2177887 0.73 CYP11B1 (0.39) NQO1NPC1SMN1; SMN2RAB9ACYP11B1
SCHEMBL2177031 0.72
SCHEMBL2177620 0.71 NQO1 (0.35) NQO1CYP11B1CYP11B2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests BASF SE (DE) 2011-07-07 US 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-20110166162-A1 1,2-Benzisothiazole Compounds Useful for Combating Animal Pests GLRX3, CBR3, PRDX1 NQO1 1276/4885NPC1 848/4885SMN1; SMN2 2625/4885

“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.