SCHEMBL9957201

SCHEMBL9957201

CC(=O)SCc1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
POLQ O75417 1/20 0.48
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
IDO1 P14902 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL14611610 0.81 MME (0.41) TDP1GAAIDO1HDAC1HDAC8
SCHEMBL271294 0.79 NPSR1 (0.36) MAOBMAOAKDM4ETDP1ATM
SCHEMBL272016 0.79 POLQ (0.49) POLQHDAC1HDAC8EPHX2HDAC3
SCHEMBL269806 0.78 PTGDR2 (0.35) POLQKMT2AEPHX2
SCHEMBL270573 0.78 HTT (0.44) POLQGAAIDO1HTT
SCHEMBL265536 0.77 POLQ (0.59) MAOBMAOAPOLQKDM4ETDP1
SCHEMBL31173765 0.77 POLQ (0.59) MAOBMAOAPOLQKDM4ETDP1
SCHEMBL13007589 0.76 IDO1 (0.57) ALDH1A1IDO1HTT
SCHEMBL515164 0.76 IDO1 (0.50) MAOBMAOAPOLQKDM4ETDP1
Bromide SCHEMBL17260892 0.75 IDO1 (0.56) ALDH1A1IDO1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103313991-B There is the substituted pyridines of weeding activity BASF SE (DE) 2016-02-10 CN disclosed
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
CN-103313991-A Substituted pyridines having herbicidal activity BASF SE 2013-09-18 CN 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 MAOB 356/4885MAOA 328/4885POLQ 3582/4885

“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.