SCHEMBL5868801

SCHEMBL5868801

CC(C)(C)OC(=O)Nc1ccc(-c2cc(F)ccc2F)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 7/20 0.44
ABCB1 P08183 6/20 0.44
KCNMA1 Q12791 1/20 0.42
CYP17A1 P05093 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
IDH1 O75874 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5868907 0.91 ABCC1 (0.44) ABCC1ABCB1KCNMA1CYP17A1MEN1
SCHEMBL5869165 0.88 MAPT (0.44) ABCC1ABCB1KCNMA1CYP17A1MEN1
SCHEMBL5868850 0.88 RAB9A (0.48) ABCC1ABCB1KCNMA1CYP17A1MEN1
SCHEMBL5868755 0.88 ABCB1 (0.49) ABCC1ABCB1KCNMA1CYP17A1MAPT
SCHEMBL1265609 0.87 KCNMA1 (0.53) ABCC1ABCB1KCNMA1MEN1KMT2A
SCHEMBL29799606 0.87 KCNMA1 (0.53) ABCC1ABCB1KCNMA1MEN1KMT2A
SCHEMBL25224772 0.86 CYP17A1 (0.49) ABCC1ABCB1KCNMA1CYP17A1MEN1
SCHEMBL30474817 0.86 CYP17A1 (0.49) ABCC1ABCB1KCNMA1CYP17A1MEN1
SCHEMBL5868997 0.84 ABCB1 (0.49) ABCC1ABCB1KCNMA1CYP17A1MAPT
SCHEMBL20176435 0.84 ABCB1 (0.59) ABCC1ABCB1KCNMA1CYP17A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (3 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 ABCC1 768/4885ABCB1 1092/4885KCNMA1 447/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ABCC1 1354/4885ABCB1 1124/4885KCNMA1 615/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ABCC1 1354/4885ABCB1 1124/4885KCNMA1 615/4885

“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.