SCHEMBL1136612

SCHEMBL1136612

[c]1nc2c(-c3cc4ccccc4o3)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.48
MAOA P21397 3/20 0.48
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
ADRA2A P08913 2/20 0.40
METAP2 P50579 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPT P10636 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
SCHEMBL29200234 0.76 MAOB (0.49) MAOBMAOARAB9ANPC1ADRA2A
SCHEMBL38628 0.75 MAOB (0.51) MAOBMAOARAB9ANPC1ADRA2A
SCHEMBL5614890 0.75 TOP2A (0.53) RAB9ANPC1KDM4EALDH1A1CYP1A2
SCHEMBL4623912 0.75 METAP2 (0.35) NPC1METAP2KDM4EALDH1A1CYP1A2
SCHEMBL6489268 0.73 BCHE (0.40) RAB9ANPC1METAP2KDM4EALDH1A1
SCHEMBL38673 0.72 RAB9A (0.48) RAB9ANPC1KDM4EALDH1A1CYP1A2
SCHEMBL1377576 0.72 MAOB (0.48) MAOBMAOARAB9ANPC1ADRA2A
SCHEMBL2203414 0.72 MAOB (0.48) MAOBMAOARAB9ANPC1ADRA2A
SCHEMBL9110854 0.72 ALDH1A1 (0.36) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL12854020 0.71 MAOB (0.71) MAOBMAOARAB9ANPC1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318555-B1 BIFUNCTIONAL CHELATING AGENTS BWXT MEDICAL LTD (CA) 2023-08-16 EP disclosed
WO-2021059017-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 WO disclosed
EP-3318555-A1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc. (CA) 2018-05-09 EP disclosed
EP-2536691-B1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-11-22 EP disclosed
US-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 US disclosed
EP-2079693-B1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
EP-2536691-A1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc. (CA) 2012-12-26 EP disclosed
US-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. 2011-12-22 US disclosed
WO-2011100829-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. (CA) 2011-08-25 WO disclosed
EP-2027104-B1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
EP-2079693-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP disclosed
EP-2027104-A1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2008052899-A1 ETHER DERIVATIVES DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO disclosed
US-20080103174-A1 ETHER DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-05-01 US disclosed
EP-1846363-A2 ADAMANTYL DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-10-24 EP disclosed
WO-2007051735-A1 ARYLSULFONYLCHROMANS AS 5-HT6 INHIBITORS INDOLYLMALEIMIDE DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-10 WO disclosed
WO-2006074244-A2 ADAMANTYL DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2006-07-13 WO disclosed
US-6936712-B1 Process for the production of oxabispidines ASTRAZENECA AB (SE) 2005-08-30 US disclosed
US-5904739-A Storage-stable liquid brightener formulations HOECHST AKTIENGESELLSCHAFT (DE) 1999-05-18 US disclosed
EP-0765964-A2 Storage stable liquid formulations containing optical brighteners HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP 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-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS FCGRT, C1QBP, H1-2 MAOB 1145/4885MAOA 1469/4885RAB9A 1342/4885
US-20080103174-A1 ETHER DERIVATIVES GABRE, BDNF, ADH1A MAOB 483/4885MAOA 186/4885RAB9A 1416/4885

“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.