SCHEMBL3737416

SCHEMBL3737416

O=C1Nc2cc(F)c(F)c([N+](=O)[O-])c2C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAPN9 O14815 1/20 0.41
CASP3 P42574 1/20 0.41
CES1 P23141 3/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN2D O15399 5/20 0.34
GRIN3B O60391 5/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2A Q12879 5/20 0.34
GRIN2B Q13224 5/20 0.34
GRIN2C Q14957 5/20 0.34
GRIN3A Q8TCU5 5/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
TGM2 P21980 1/20 0.31
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
VCAM1 P19320 1/20 0.30

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
SCHEMBL8872728 0.95 CAPN9 (0.40) CAPN9CASP3CES1MEN1KMT2A
SCHEMBL15712471 0.89 CAPN9 (0.41) CAPN9CASP3CES1MEN1KMT2A
SCHEMBL8873910 0.86 CAPN9 (0.34) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL8873903 0.86 CAPN9 (0.34) CAPN9CASP3GRIN2DGRIN3BGRIN1
SCHEMBL7050520 0.84 CAPN9 (0.32) CAPN9CASP3MEN1KMT2AGRIN2D
SCHEMBL7050508 0.84 CAPN9 (0.35) CAPN9CASP3MEN1KMT2AGRIN2D
SCHEMBL7050523 0.84 CAPN9 (0.32) CAPN9CASP3MEN1KMT2AGRIN2D
SCHEMBL7050506 0.84 CAPN9 (0.35) CAPN9CASP3MEN1KMT2AGRIN2D
SCHEMBL8873629 0.83 CAPN9 (0.31) CAPN9CASP3KMT2AGRIN2DGRIN3B
SCHEMBL8873624 0.83 CAPN9 (0.31) CAPN9CASP3KMT2AGRIN2DGRIN3B

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
US-7829567-B2 Imino-indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-09 US disclosed
US-20090111987-A1 Imino-Indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2009-04-30 US disclosed
US-5597922-A Glycine receptor antagonist pharmacophore STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1997-01-28 US disclosed
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 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-20090111987-A1 Imino-Indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same IMPA1, IMPDH1, IPO5 CAPN9 4805/4885CASP3 670/4885CES1 2260/4885

“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.