SCHEMBL2177620

SCHEMBL2177620

CCOc1cn[c]c(C(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.35
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30

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
SCHEMBL2176727 0.79 ALDH1A1 (0.33)
SCHEMBL2177255 0.76 NQO1 (0.39) NQO1CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL2178741 0.76 NQO1 (0.39) NQO1CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL2175980 0.75
SCHEMBL2178430 0.74 NQO1 (0.38) NQO1CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL2178735 0.74 NQO1 (0.38) NQO1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL2177887 0.73 CYP11B1 (0.39) NQO1CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL2175729 0.71 NQO1 (0.35) NQO1CYP11B1CYP11B2CHRNB2CHRNB4
SCHEMBL2179010 0.71 MEN1 (0.34) NQO1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL2179435 0.70 CYP11B1 (0.40) NQO1CYP11B1CYP11B2CHRNB2CHRNB4

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 1276/4885CYP11B1 3619/4885CYP11B2 3916/4885

“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.