SCHEMBL2639080

SCHEMBL2639080

O=c1[nH]c2ccccc2c(=O)cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.61
DDO Q99489 5/20 0.61
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
IDE P14735 1/20 0.58
MPI P34949 1/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
CYP1A2 P05177 3/20 0.56
GAA P10253 2/20 0.56
HSD17B10 Q99714 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 3/20 0.56
GRIN2D O15399 2/20 0.56
GRIN3B O60391 2/20 0.56
GRIN1 Q05586 2/20 0.56
GRIN2A Q12879 2/20 0.56
GRIN2B Q13224 2/20 0.56

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
SCHEMBL6667751 0.80 GAA (0.60) DAODDOKDM4EALDH1A1MAPT
SCHEMBL1270149 0.77 CYP1A2 (0.56) KDM4EALDH1A1MAPTIDEMPI
SCHEMBL7980275 0.77 SRC (0.66) DAODDOKDM4EALDH1A1MAPT
SCHEMBL9007836 0.77 METAP2 (0.49) DAODDOHPGDLMNA
SCHEMBL9007832 0.77 DAO (0.65) DAODDOKDM4EALDH1A1MEN1
SCHEMBL9387738 0.77 DAO (0.65) DAODDOKDM4EALDH1A1MEN1
SCHEMBL9387632 0.77 DAO (0.65) DAODDOKDM4EALDH1A1MAPT
SCHEMBL7341095 0.77 DAO (0.61) DAODDOKDM4EALDH1A1MAPT
SCHEMBL9389777 0.77 DAO (0.65) DAODDOKDM4EALDH1A1GAA
SCHEMBL7350621 0.77 DAO (0.65) DAOKDM4EALDH1A1CYP1A2MEN1

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647137-A4 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. UNIV CALIFORNIA WEBER ECKARD (US) 1998-09-16 EP claimed
JP-H08501283-A 1996-02-13 JP claimed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP claimed
WO-1994007500-A1 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS WEBER ECKARD (US) 1994-04-14 WO claimed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 WO claimed
US-7862807-B2 Dendrimers as molecular translocators UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2011-01-04 US disclosed
US-20090311249-A1 Capecitabine Combination Therapy ARIAD PHARMACEUTICALS, INC. 2009-12-17 US disclosed
US-20080221020-A1 Dendrimers as Molecular Translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 US disclosed
EP-1545462-A4 DENDRIMERS AS MOLECULAR TRANSLOCATORS UNIV CALIFORNIA (US) 2007-08-08 EP disclosed
US-20060216265-A1 Dendrimers as molecular translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-09-28 US disclosed
EP-1545462-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS The Regents of the University of California (US) 2005-06-29 EP disclosed
US-6710086-B1 CHEMICALLY MODIFIED PHARMACOLOGICALLY ACTIVE AGENT IN CARRIER; REDUCE THE DAMAGE TO THE GASTROINTESTINAL TRACT MEDINOX, INC. 2004-03-23 US disclosed
US-5476933-A Condensation, ring expansion STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1995-12-19 US disclosed
US-5446039-A Treating nervous system and brain disorder, acting as excitatory amino acid antagonist IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1995-08-29 US disclosed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP disclosed
WO-1994007500-A1 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS WEBER ECKARD (US) 1994-04-14 WO disclosed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 WO disclosed
US-5254683-A Neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0517876-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS. ICI PLC (GB) 1992-12-16 EP disclosed
WO-1992011854-A1 THERAPEUTIC BENZAZEPINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-23 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-20090311249-A1 Capecitabine Combination Therapy RICTOR, MTOR, EIF4E DAO 4390/4885DDO 4193/4885KDM4E 199/4885
US-20060216265-A1 Dendrimers as molecular translocators SLC29A1, SLC29A2, TSPO DAO 694/4885DDO 413/4885KDM4E 3934/4885
US-20080221020-A1 Dendrimers as Molecular Translocators SLC29A1, SLC29A2, TSPO DAO 694/4885DDO 413/4885KDM4E 3934/4885

“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.