SCHEMBL9932205

SCHEMBL9932205

COC(=O)c1c(Cl)c([N+](=O)[O-])cc(Br)[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.41
MAPT P10636 5/20 0.40
POLB P06746 2/20 0.40
GPR35 Q9HC97 1/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.37
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
COMT P21964 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9084161 0.74 PKM (0.44) VCAM1MAPTPOLBGPR35MAPK1
SCHEMBL15408520 0.74 VCAM1 (0.49) VCAM1MAPTPOLBMAPK1LMNA
SCHEMBL645817 0.73 VCAM1 (0.55) VCAM1MAPTPOLBGPR35MAPK1
SCHEMBL2342890 0.72 MAPT (0.41) VCAM1MAPTPOLBGPR35MAPK1
SCHEMBL21643828 0.71 GPR35 (0.45) VCAM1MAPTPOLBGPR35MAPK1
SCHEMBL22081923 0.70 MAPT (0.52) VCAM1MAPTPOLBMAPK1TDP1
SCHEMBL12000739 0.70 TDP1 (0.49) VCAM1MAPTPOLBGPR35MAPK1
SCHEMBL30159180 0.70 MAPT (0.52) VCAM1MAPTPOLBMAPK1TDP1
SCHEMBL3898466 0.69 TDP1 (0.54) VCAM1MAPTPOLBMAPK1TDP1
SCHEMBL2348307 0.69 ALDH1A1 (0.37) MAPTPOLBLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962529-B2 Substituted picolinic acids, salts and acid derivatives thereof, and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20120157314-A1 NOVEL SUBSTITUTED PICOLINIC ACIDS, SALTS AND ACID DERIVATIVES THEREOF, AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 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-20120157314-A1 NOVEL SUBSTITUTED PICOLINIC ACIDS, SALTS AND ACID DERIVATIVES THEREOF, AND USE THEREOF AS HERBICIDES HPD, ALAD, DDT VCAM1 4850/4885MAPT 3797/4885POLB 3353/4885

“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.