SCHEMBL3375862

SCHEMBL3375862

CCOC(=O)C1=C(O)c2ccccc2NC(=O)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDH2 P40926 6/20 0.53
CCNB2 O95067 5/20 0.53
CDK1 P06493 5/20 0.53
CCNB1 P14635 5/20 0.53
CCNB3 Q8WWL7 5/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
AGTR1 P30556 1/20 0.49
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
KDR P35968 1/20 0.43
ABL1 P00519 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 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
SCHEMBL25556206 0.85 CDK1 (0.51) MDH2CCNB2CDK1CCNB1CCNB3
SCHEMBL29783245 0.85 CDK1 (0.51) MDH2CCNB2CDK1CCNB1CCNB3
SCHEMBL6872991 0.85 CCNB2 (0.43) MDH2CCNB2CDK1CCNB1CCNB3
SCHEMBL5683914 0.84 CYP3A4 (0.44) MDH2CCNB2CDK1CCNB1CCNB3
SCHEMBL6871281 0.83 MEN1 (0.42) MDH2CCNB2CDK1CCNB1CCNB3
SCHEMBL771568 0.83 KDM4E (0.43) MDH2CCNB2CDK1CCNB1CCNB3
SCHEMBL5025689 0.83 MAPK1 (0.43) MDH2CCNB2CDK1CCNB1CCNB3
SCHEMBL6871811 0.83 CCNB2 (0.42) MDH2CCNB2CDK1CCNB1CCNB3
SCHEMBL17183162 0.79 CES1 (0.46) MDH2CCNB2CDK1CCNB1CCNB3
SCHEMBL2616936 0.79 GSK3B (0.51) CCNB2CDK1CCNB1CCNB3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748691-B1 PLANT GROWTH REGULATION BAYER CROPSCIENCE AG (DE) 2010-10-27 EP disclosed
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
EP-1748691-A1 PLANT GROWTH REGULATION Bayer CropScience GmbH (DE) 2007-02-07 EP disclosed
WO-2005107471-A1 PLANT GROWTH REGULATION BAYER CROPSCIENCE GMBH (DE) 2005-11-17 WO disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1399448-B1 IMIDAZO 1,5-A] PYRIMIDO 5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2004-12-01 EP disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP disclosed
EP-1399448-A1 IMIDAZO 1,5-A] PYRIMIDO 5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-03-24 EP disclosed
US-6686352-B2 USEFUL AS COGNITIVE ENHANCER OR FOR THERAPY OF COGNITIVE DISORDERS LIKE ALZHEIMER'S DISEASE HOFFMANN-LA ROCHE INC. 2004-02-03 US disclosed
US-20030055042-A1 Substituted imidazo [1,5-a] pyrimido [5,4-d] [1] benzazepine derivatives F. HOFFMANN-LA ROCHE AG A SWISS COMPANY (CH) 2003-03-20 US disclosed
WO-2002094834-A1 IMIDAZO [1,5-A] PYRIMIDO [5,4-D] BENZAZEPINE DERIVATIVES AS GABA A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-11-28 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-20030055042-A1 Substituted imidazo [1,5-a] pyrimido [5,4-d] [1] benzazepine derivatives GALR1, GALR2, ADRA1A MDH2 2825/4885CCNB2 3544/4885CDK1 3196/4885
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 MDH2 115/4885CCNB2 1062/4885CDK1 1061/4885

“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.