SCHEMBL6434084

SCHEMBL6434084

C=CCOc1ccc([N+](=O)[O-])c(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AR P10275 4/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 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
SCHEMBL5557165 0.86 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL7703660 0.83 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL5557982 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AAR
SCHEMBL25312862 0.83 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL1130860 0.82 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL28526955 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1L3MBTL1LMNAMEN1
SCHEMBL25312928 0.81 SMN1; SMN2 (0.54) SMN1; SMN2LMNAMEN1KMT2AAR
SCHEMBL7141508 0.81 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL2654219 0.80 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL27804103 0.78 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
EP-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
EP-1224174-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2003-09-17 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
WO-2001029011-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 (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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 SMN1; SMN2 306/4885ALDH1A1 422/4885L3MBTL1 3136/4885

“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.