SCHEMBL5223849

SCHEMBL5223849

Cn1nc(Oc2cc(Oc3cccc(C(F)(F)F)c3)cc([N+](=O)[O-])c2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
ENPP2 Q13822 2/20 0.38
LRRK2 Q5S007 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KIF11 P52732 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL5228389 0.88 POLB (0.50) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL5227889 0.85 POLB (0.46) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL5223851 0.84 MAPT (0.45) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL5227374 0.84 POLB (0.45) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL31009356 0.80 MAPT (0.49) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL8144288 0.78 MAPT (0.51) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL24168437 0.77 MAPT (0.54) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5224826 0.76 MAPT (0.49) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL30539127 0.76 MAPT (0.49) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL8152290 0.75 MAPT (0.48) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866287-B1 SUBSTITUTED PYRAZOLYL OXYPHENYL DERIVATIVES USED AS HERBICIDES BAYER IP GMBH (DE) 2016-09-21 EP disclosed
EP-1866287-A2 SUBSTITUTED PYRAZOLYL OXYPHENYL DERIVATIVES USED AS HERBICIDES Bayer CropScience AG (DE) 2007-12-19 EP disclosed
US-20060223709-A1 Substituted pyrazolyloxyphenyl derivatives as herbicides BAYER CROPSCIENCE GMBH (DE) 2006-10-05 US disclosed
WO-2006103003-A2 SUBSTITUTED PYRAZOLYL OXYPHENYL DERIVATIVES USED AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2006-10-05 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-20060223709-A1 Substituted pyrazolyloxyphenyl derivatives as herbicides DDT, CBR3, CYP1A1 MAPT 3666/4885POLB 2713/4885MEN1 4204/4885

“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.