SCHEMBL17798985

SCHEMBL17798985

O=C(NS/N=C/c1ccc2c(c1)CCc1c-2cnn1-c1ccc(OC(F)(F)F)cc1)Nc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.35
MAPT P10636 2/20 0.34
ABL1 P00519 1/20 0.32
NPBWR1 P48145 2/20 0.31
MCHR1 Q99705 2/20 0.31
P2RY1 P47900 1/20 0.31
NR3C1 P04150 1/20 0.30
PDK2 Q15119 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
SCHEMBL16400813 0.89 MAPT (0.35) MAPTP2RY1
SCHEMBL17798953 0.87 MAPT (0.34) MAPTP2RY1
SCHEMBL17798986 0.83 GPR35 (0.36) MARS1MAPT
SCHEMBL17798987 0.83 GPR35 (0.36) MARS1MAPT
SCHEMBL16400718 0.79 SMURF2 (0.36) MAPT
SCHEMBL16401468 0.77 L3MBTL1 (0.33)
SCHEMBL16401173 0.76 PFKFB3 (0.32) MAPT
SCHEMBL16401102 0.75 MAPT (0.37) MARS1MAPTABL1NPBWR1MCHR1
SCHEMBL16400788 0.74 GCGR (0.34) MAPTNPBWR1MCHR1P2RY1NR3C1
SCHEMBL16401266 0.73 SMURF2 (0.40) MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP claimed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US claimed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US claimed
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 MARS1 687/4885MAPT 782/4885ABL1 4465/4885

“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.