SCHEMBL2178741

SCHEMBL2178741

CCOc1[c]ncc(OCC)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.39
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP19A1 P11511 1/20 0.32
LTA4H P09960 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
SCHEMBL2179984 0.89 CYP11B1 (0.36) NQO1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL2177887 0.89 CYP11B1 (0.39) NQO1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL1035966 0.83 RXRA (0.30)
SCHEMBL2179010 0.83 MEN1 (0.34) NQO1CYP11B1CYP11B2TP53CYP3A4
SCHEMBL2177255 0.80 NQO1 (0.39) NQO1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL2177648 0.80 S1PR1 (0.32) NQO1
SCHEMBL2178430 0.78 NQO1 (0.38) NQO1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL2178735 0.78 NQO1 (0.38) NQO1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL2179599 0.78 PTGS2 (0.31)
SCHEMBL2178211 0.78 CHRNB2 (0.34) CHRNB2CHRNA4TSHRKDM4EALDH1A1

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.