SCHEMBL2178671

SCHEMBL2178671

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
NQO1 P15559 1/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
RXRA P19793 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PAX8 Q06710 1/20 0.31
HPGD P15428 1/20 0.31
CNR2 P34972 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL2178109 0.80 CYP11B1 (0.36) L3MBTL1MAPTCYP11B1CYP11B2MEN1
SCHEMBL2178430 0.77 NQO1 (0.38) MAPK1NQO1MAPTTDP1CYP11B1
SCHEMBL2179099 0.76 MAPK1 (0.33) MAPK1NQO1
SCHEMBL2178741 0.74 NQO1 (0.39) NQO1MAPTTDP1CYP11B1CYP11B2
SCHEMBL2177255 0.74 NQO1 (0.39) NQO1MAPTTDP1CYP11B1CYP11B2
SCHEMBL2178912 0.74 SCN5A (0.31)
SCHEMBL2178735 0.73 NQO1 (0.38) NQO1MAPTCYP11B1CYP11B2KMT2A
SCHEMBL2177979 0.73
SCHEMBL2177887 0.71 CYP11B1 (0.39) NQO1MAPTCYP11B1CYP11B2CHRNB2
SCHEMBL663821 0.71

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 MAPK1 3557/4885NQO1 1276/4885LMNA 1548/4885

“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.