SCHEMBL1936645

SCHEMBL1936645

O=C1C=CC(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 3/20 0.58
KAT2B Q92831 1/20 0.56
HPN P05981 1/20 0.53
VCAM1 P19320 5/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.50
MGLL Q99685 4/20 0.47
PKM P14618 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
FAAH O00519 2/20 0.45
HSP90AA1 P07900 1/20 0.45
NLRP1 Q9C000 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL10664728 0.84 CCR6 (0.64) CCR6HPNALDH1A1MAPTHPGD
SCHEMBL10586556 0.81 CCR6 (0.60) CCR6HPNALDH1A1MAPTHPGD
SCHEMBL18919390 0.80 CCR6 (0.58) CCR6HPNALDH1A1MAPTHPGD
SCHEMBL11646163 0.80 CCR6 (0.68) CCR6HPNALDH1A1MAPTHPGD
SCHEMBL29510540 0.80 CCR6 (0.68) CCR6HPNALDH1A1MAPTHPGD
SCHEMBL11064552 0.78 KAT2B (0.51) KAT2BVCAM1MAPTMAPK1IDO1
SCHEMBL10666460 0.77 CCR6 (0.54) CCR6HPNALDH1A1MAPTHPGD
SCHEMBL5577178 0.76 CCR6 (0.66) CCR6HPNALDH1A1MAPTHPGD
SCHEMBL10880929 0.76 CCR6 (0.54) CCR6HPNALDH1A1MAPTHPGD
SCHEMBL2345040 0.76 MAPT (0.61) ALDH1A1MAPTHPGDHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245242-A1 Heterocyclically Substituted Anilinopyrimides BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
EP-2331524-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025831-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 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-20110245242-A1 Heterocyclically Substituted Anilinopyrimides H1-10, POLL, PPM1D CCR6 4710/4885KAT2B 4106/4885HPN 2683/4885

“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.