SCHEMBL6701656

SCHEMBL6701656

CC(C)(CNc1ccc(F)cc1)[N+](=O)[O-].CC(C)(CNc1ccc(F)cc1)[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 5/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
AR P10275 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
XBP1 P17861 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL6697703 1.00 ALDH1A1 (0.40) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL8717449 0.91 MAPT (0.46) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL7508194 0.83 MAPT (0.61) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL9174239 0.83 MAPT (0.40) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL3420454 0.82 PTPRF (0.45) ALDH1A1MAPTHTTMAPK1MEN1
SCHEMBL6993608 0.80 MAPT (0.41) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL6703753 0.80 CA2 (0.40) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL11703236 0.80 HPGD (0.50) ALDH1A1MAPTHTTMAPK1CYP3A4
SCHEMBL1447189 0.80 ALDH1A1 (0.39) ALDH1A1MAPTHTTKDM4EMAPK1
SCHEMBL6695922 0.80 MAPT (0.41) ALDH1A1MAPTHTTKDM4EMAPK1

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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 ALDH1A1 925/4885MAPT 3376/4885HTT 4071/4885

“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.