SCHEMBL980587

SCHEMBL980587

CC(O)(c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c2cccnc12)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 5/20 0.40
GABRB2 P47870 5/20 0.40
RORC P51449 2/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM2 Q14416 1/20 0.35
GRIN2B Q13224 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CBFB Q13951 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4415348 0.84 GABRA2 (0.40) GABRA2GABRB2RORCL3MBTL1
SCHEMBL2828429 0.82 GABRA2 (0.45) GABRA2GABRB2RORCKDM4EALDH1A1
SCHEMBL980293 0.82 RORC (0.37) GABRA2GABRB2RORCKDM4EL3MBTL1
SCHEMBL982286 0.80 GABRA2 (0.39) GABRA2GABRB2KDM4EL3MBTL1PTPN6
SCHEMBL4411178 0.74 GABRA2 (0.44) GABRA2GABRB2RORCKDM4EALDH1A1
SCHEMBL2829188 0.72 MAPT (0.42) GABRA2GABRB2RORCKDM4EALDH1A1
SCHEMBL980011 0.71 GABRA2 (0.38) GABRA2GABRB2
SCHEMBL2831625 0.70 MAPT (0.42) GABRA2GABRB2KDM4EALDH1A1MEN1
SCHEMBL2831822 0.70 MAPT (0.61) KDM4EALDH1A1MEN1KMT2AGRM2
SCHEMBL2834112 0.69 GABRA2 (0.43) GABRA2GABRB2KDM4EALDH1A1MEN1

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-20110021543-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 2011-01-27 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-20110021543-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS PESTICIDES DDT, TYR, CAT GABRA2 1490/4885GABRB2 1376/4885RORC 2101/4885

“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.