SCHEMBL4126697

SCHEMBL4126697

O=[C]c1cccc2oc3ccccc3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
GLA P06280 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.48
PGAM1 P18669 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
CDC14B O60729 1/20 0.47
CDC14A Q9UNH5 1/20 0.47
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 3/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 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
SCHEMBL25056552 0.80 CDC14B (0.47) MAOAALDH1A1KDM4EHPGDGLA
SCHEMBL6006641 0.80 CDC14B (0.47) MAOAALDH1A1KDM4EHPGDGLA
SCHEMBL21858074 0.80 CDC14B (0.44) MAOAALDH1A1KDM4EHPGDGLA
SCHEMBL19537979 0.80 CA1 (0.44) MAOAALDH1A1KDM4EHPGDGLA
SCHEMBL30892322 0.80 CA1 (0.44) MAOAALDH1A1KDM4EHPGDGLA
SCHEMBL19409989 0.76 ALDH1A1 (0.44) MAOAALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL21624973 0.76 CYP3A4 (0.46) MAOAALDH1A1KDM4EHPGDGLA
SCHEMBL29054008 0.74 CDC14B (0.40) MAOAALDH1A1KDM4EHPGDGLA
SCHEMBL2195718 0.73 MAOA (0.54) MAOAALDH1A1KDM4EHPGDGLA
SCHEMBL1635475 0.73 MAOA (0.59) MAOAALDH1A1KDM4EHPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2248424-A None JP disclosed
US-9688612-B2 Axially chiral N-(2-acylaryl)-2-[5,7-dihydro-6h-dibenzo[c,e]azepin-6-yl] acetamide compound and chirality interconversion method of a-amino acid using the same HAMARI CHEMICALS, LTD. (JP) 2017-06-27 US disclosed
US-20150321994-A1 AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND CHIRALITY INTERCONVERSION METHOD OF ALPHA-AMINO ACID USING THE SAME Hamari Chemicals, Ltd. 4-29 (JP) 2015-11-12 US disclosed
US-20090035394-A1 USE OF DNA-PK INHIBITION TO SENSITISE ATM DEFICIENT CANCERS TO DNA-DAMAGING CANCER THERAPIES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-02-05 US disclosed
EP-1895997-A2 USE OF DNA-PK INHIBITION TO SENSITISE ATM DEFICIENT CANCERS TO DNA-DAMAGING CANCER THERAPIES Kudos Pharmaceuticals Ltd (GB) 2008-03-12 EP disclosed
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed
WO-2006126010-A2 USE OF DNA-PK INHIBITION TO SENSITISE ATM DEFICIENT CANCERS TO DNA-DAMAGING CANCER THERAPIES KUDOS PHARMACEUTICALS LIMITED (GB) 2006-11-30 WO disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed
US-5965613-A FUNGICIDES FOR USE IN AGRICULTURE AND HORTICULTURE; THE COMPOUNDS ALSO HAVE INSECTICIDAL AND ACARICIDAL ACTIVITY NOVARTIS FINANCE CORPORATION (US) 1999-10-12 US disclosed
JP-H02248424-A AROMATIC POLYMERS IMPERIAL CHEM IND PLC <ICI> 1990-10-04 JP disclosed
US-4764618-A TRYPSIN INHIBITOR, PANCREATITIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1988-08-16 US 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-20090035394-A1 USE OF DNA-PK INHIBITION TO SENSITISE ATM DEFICIENT CANCERS TO DNA-DAMAGING CANCER THERAPIES ATM, CHEK2, DCK MAOA 4741/4885ALDH1A1 3562/4885KDM4E 1271/4885
US-20150321994-A1 AXIALLY CHIRAL N-(2-ACYLARYL)-2-[5,7-DIHYDRO-6H-DIBENZO[c,e]AZEPIN-6-YL] ACETAMIDE COMPOUND AND CHIRALITY INTERCONVERSION METHOD OF ALPHA-AMINO ACID USING THE SAME ANPEP, NAAA, NAA15 MAOA 1328/4885ALDH1A1 1672/4885KDM4E 695/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 MAOA 558/4885ALDH1A1 228/4885KDM4E 1370/4885

“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.