SCHEMBL9957265

SCHEMBL9957265

COC(=O)c1ncccc1CSCc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MPO P05164 1/20 0.44
NFE2L2 Q16236 1/20 0.43
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
LMNA P02545 1/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
RBP4 P02753 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90B1 P14625 1/20 0.41
PARP1 P09874 1/20 0.40
PKM P14618 1/20 0.40
SGMS2 Q8NHU3 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL17260913 0.85 L3MBTL1 (0.48) L3MBTL1ABL1SRCLMNAMAOB
SCHEMBL9957114 0.85 KDM4E (0.50) L3MBTL1NFE2L2LMNARBP4KDM4E
Hydrogen Sulfide SCHEMBL17260905 0.84 L3MBTL1 (0.47) L3MBTL1ABL1SRCLMNAMAOB
SCHEMBL9957557 0.82 GRM4 (0.45) L3MBTL1NFE2L2ABL1SRCMAOB
SCHEMBL2346222 0.80 L3MBTL1 (0.55) L3MBTL1NFE2L2ALDH1A1HTTTDP1
SCHEMBL1899282 0.78 BRD4 (0.50) LMNAKDM4EALDH1A1HTTTDP1
SCHEMBL1892783 0.76 POLQ (0.55) L3MBTL1NFE2L2ABL1SRCRBP4
SCHEMBL27936635 0.75 RBP4 (0.45) LMNAMAOBMAOARBP4KDM4E
SCHEMBL12948310 0.74 L3MBTL1 (0.55) L3MBTL1MPOPARP1PKMKDM4E
SCHEMBL15538488 0.74 MPO (0.45) L3MBTL1MPOLMNAHSP90AA1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655381-B1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2015-09-30 EP disclosed
EP-2655381-B1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2015-09-30 EP disclosed
US-8877683-B2 Substituted pyridines having herbicidal activity BASF SE (DE) 2014-11-04 US disclosed
US-8877683-B2 Substituted pyridines having herbicidal activity BASF SE (DE) 2014-11-04 US disclosed
US-8877683-B2 Substituted pyridines having herbicidal activity BASF SE (DE) 2014-11-04 US disclosed
US-20130288899-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2013-10-31 US disclosed
US-20130288899-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2013-10-31 US disclosed
US-20130288899-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2013-10-31 US disclosed
EP-2655381-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2013-10-30 EP disclosed
WO-2012084755-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2012-06-28 WO disclosed
WO-2012084755-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2012-06-28 WO 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-20130288899-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTIVITY DDT, PNPO, CYP4X1 L3MBTL1 4409/4885MPO 264/4885NFE2L2 550/4885

“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.