SCHEMBL16401384

SCHEMBL16401384

CN1NC(c2ccc(OC(F)(F)F)cc2)C2=C1c1ccc(Br)cc1C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.36
MAPT P10636 2/20 0.33
OPRM1 P35372 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRA2A P08913 1/20 0.32
PNMT P11086 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
KDM1A O60341 2/20 0.31
RCOR1 Q9UKL0 1/20 0.31
HTR2A P28223 1/20 0.31
ALK Q9UM73 1/20 0.30
IDH1 O75874 3/20 0.30
TDP2 O95551 1/20 0.30
CCR6 P51684 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAOB P27338 1/20 0.30
SLC6A4 P31645 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
SCHEMBL16401008 0.69 KDM4E (0.52) MDM2MAPTALDH1A1
SCHEMBL16401385 0.67 HTR2A (0.35) MDM2MAPTOPRM1ALDH1A1HTR2A
SCHEMBL16409713 0.66 CHEK1 (0.39) MAPTALDH1A1HRH3HTR2ATDP2
SCHEMBL16400911 0.66 HTR2A (0.38) MAPTALDH1A1HRH3HTR2ATDP2
SCHEMBL16401561 0.63 PTGS2 (0.39) MDM2MAPTOPRM1ALDH1A1IDH1
SCHEMBL220074 0.61 MAPT (0.47) MDM2MAPTMEN1KMT2AALDH1A1
SCHEMBL16401216 0.61 MAPT (0.39) MAPTTDP2
SCHEMBL16401215 0.61 MAPT (0.39) MAPTTDP2
SCHEMBL16400581 0.60 MAPT (0.38) MAPTMEN1KMT2AALDH1A1HRH3
SCHEMBL7469958 0.59 MAPT (0.45) MDM2MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3022185-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2016-05-25 EP disclosed
WO-2015007682-A1 PESTICIDE COMPOUNDS BASF SE (DE) 2015-01-22 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 MDM2 1220/4885MAPT 782/4885OPRM1 605/4885

“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.