SCHEMBL6722955

SCHEMBL6722955

CC(C)OC(=O)c1cc([N+](=O)[O-])[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MAPK1 P28482 1/20 0.38
CACNA1C Q13936 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
NPC1 O15118 2/20 0.37
MAPT P10636 2/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 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
SCHEMBL25449 0.83 MAPK1 (0.57) HPGDMAPK1NPC1MAPTKDM4E
SCHEMBL14688254 0.79 HPGD (0.46) HPGDMAPK1ALDH1A1LMNANPC1
SCHEMBL3827239 0.79 POLB (0.48) HPGDNPC1MAPTTP53NPSR1
SCHEMBL4755850 0.78 MAPK1 (0.51) HPGDMAPK1NPC1L3MBTL1HCAR3
SCHEMBL15981916 0.77 HPGD (0.52) HPGDMAPK1ALDH1A1LMNAMAPT
SCHEMBL6350652 0.76 HPGD (0.50) HPGDMAPK1LMNANPC1MAPT
SCHEMBL25186196 0.76 MAPK1 (0.61) MAPK1ALDH1A1LMNANPC1MAPT
SCHEMBL166665 0.76 MAPK1 (0.43) HPGDMAPK1ALDH1A1LMNANPC1
SCHEMBL972735 0.75 HPGD (0.43) HPGDMAPK1ALDH1A1MAPTKDM4E
SCHEMBL26820 0.75 HPGD (0.54) HPGDHCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157892-A1 Pesticidal fluoroethyl pyrazoles CROMPTON CO./CIE 2004-08-12 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-20040157892-A1 Pesticidal fluoroethyl pyrazoles CBR3, AADAC, HDHD5 HPGD 530/4885CRHBP 1391/4885CRHR2 2672/4885

“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.