SCHEMBL5563288

SCHEMBL5563288

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
DHODH Q02127 1/20 0.47
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
MITF O75030 1/20 0.43

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
SCHEMBL5868937 0.91 DHODH (0.51) MEN1KMT2ADHODHRAB9AMAPT
SCHEMBL5868799 0.88 DHODH (0.42) MEN1KMT2ADHODHRAB9ANPC1
SCHEMBL977967 0.86 MEN1 (0.66) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5562070 0.85 KMT2A (0.50) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3483129 0.85 KMT2A (0.56) MEN1KMT2ADHODHRAB9ANPC1
SCHEMBL27597146 0.83 DHODH (0.53) MEN1KMT2ADHODHRAB9ANPC1
SCHEMBL28885280 0.83 MAPT (0.61) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3369544 0.82 KCNMA1 (0.57) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL29799606 0.82 KCNMA1 (0.53) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL1265609 0.82 KCNMA1 (0.53) MEN1KMT2ARAB9ANPC1MAPT

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
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
EP-1651234-B1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-7235547-B2 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist HOFFMANN-LA ROCHE INC. (US) 2007-06-26 US disclosed
EP-1651234-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-03 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
US-20050049243-A1 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist HOFFMANN-LA ROCHE INC. 2005-03-03 US disclosed
WO-2005014002-A1 COMBINATION OF MGLUR2 ANTAGONIST AND ACHE INHIBITOR FOR TREATMENT OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2005-02-17 WO disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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 (2 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-20050049243-A1 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist GRM2, GRIK2, GRIA2 MEN1 3290/4885KMT2A 229/4885DHODH 3561/4885
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 MEN1 1739/4885KMT2A 1661/4885DHODH 313/4885

“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.