SCHEMBL2179010

SCHEMBL2179010

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
NQO1 P15559 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.31
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
LTA4H P09960 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
SCHEMBL1035966 0.87 RXRA (0.30) RXRAGRIN1GRIN2B
SCHEMBL2180070 0.83 MEN1 (0.31) MEN1KMT2A
SCHEMBL2178741 0.83 NQO1 (0.39) TSHRNQO1TP53CYP3A4CYP11B1
SCHEMBL2180024 0.81 RXRA (0.34) RXRAGRIN1GRIN2B
SCHEMBL2177887 0.80 CYP11B1 (0.39) RAB9ANQO1CYP11B1CYP11B2
SCHEMBL2177327 0.77 RXRA (0.33) RXRAGRIN1GRIN2B
SCHEMBL1035285 0.75 KDM4E (0.32) RXRAGRIN1GRIN2B
SCHEMBL2179001 0.74
SCHEMBL2178430 0.74 NQO1 (0.38) TSHRNQO1TP53CYP3A4MAPK1
SCHEMBL2179984 0.73 CYP11B1 (0.36) RAB9ANQO1CYP11B1CYP11B2

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 MEN1 3287/4885KMT2A 3168/4885TSHR 82/4885

“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.