SCHEMBL6165553

SCHEMBL6165553

CCN(C)c1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 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
SCHEMBL6164659 0.91 HCAR3 (0.44) RECQLHTTTP53MAPTALDH1A1
SCHEMBL6164947 0.88 RECQL (0.42) RECQLHTTTP53MAPTALDH1A1
SCHEMBL6162541 0.88 RECQL (0.39) RECQLHTTTP53MAPTALDH1A1
SCHEMBL6168599 0.88 SMN1; SMN2 (0.37) RECQLHTTMAPTALDH1A1L3MBTL1
SCHEMBL14740771 0.83 RECQL (0.53) RECQLHTTTP53MAPTALDH1A1
SCHEMBL6165435 0.81 AAK1 (0.37) SMN1; SMN2
SCHEMBL6165889 0.80 HCAR3 (0.40) RECQLHTTTP53MAPTALDH1A1
SCHEMBL6165488 0.79 HCAR3 (0.43) RECQLHTTMAPTALDH1A1L3MBTL1
SCHEMBL5557182 0.78 RECQL (0.43) RECQLHTTTP53MAPTALDH1A1
SCHEMBL6165541 0.78 MAPT (0.40) HTTMAPTALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 RECQL 469/4885HTT 1383/4885TP53 4859/4885

“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.