SCHEMBL1425626

SCHEMBL1425626

COc1ccc(-c2nsc(=O)o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 8/20 0.62
▸ NOTUM Q6P988 1/20 0.53
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ PSMB11 A5LHX3 1/20 0.43
▸ PSMD11 O00231 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
SCHEMBL1781272 0.83 PSMB8 (0.56) PSMB8NPC1RAB9AKMT2AKDM4E
SCHEMBL1783240 0.81 PSMB8 (0.63) PSMB8NOTUMNPC1RAB9AKMT2A
SCHEMBL1781945 0.80 PSMB8 (0.68) PSMB8NOTUMNPC1RAB9AKDM4E
SCHEMBL12811414 0.80 PSMB8 (0.54) PSMB8NPC1RAB9AKDM4EALDH1A1
SCHEMBL11393873 0.79 PSMB8 (0.53) PSMB8NPC1RAB9AKMT2AKDM4E
SCHEMBL1425770 0.79 PSMB8 (0.57) PSMB8NOTUM
SCHEMBL18614390 0.77 PSMB8 (0.68) PSMB8NPC1RAB9AKMT2AKDM4E
SCHEMBL9627131 0.77 PSMB8 (0.68) PSMB8PSMB11PSMD11PSMD12PSMD14
SCHEMBL459541 0.77 PSMB8 (0.68) PSMB8NOTUMNPC1RAB9AKDM4E
SCHEMBL16363828 0.77 PSMB8 (0.68) PSMB8ALDH1A1MAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072708-A1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2018-03-15 — — US disclosed
EP-2308838-B1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2016-02-17 — — EP disclosed
US-9150563-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 — — US disclosed
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 — — US disclosed
US-8648103-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-11 — — US disclosed
US-8492414-B2 Antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-07-23 — — US disclosed
US-8492414-B2 Antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-07-23 — — US disclosed
US-8492414-B2 Antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-07-23 — — US disclosed
WO-2013031694-A1 AMINE COMPOUND AND SALT THEREOF 富山化学工業株式会社 (JP) 2013-03-07 — — WO disclosed
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-03 — — US disclosed
EP-2200991-B1 ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-03-23 — — EP disclosed
US-20100273837-A1 ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-10-28 — — US disclosed
US-20100273837-A1 ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-10-28 — — US disclosed
US-20100273837-A1 ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-10-28 — — US disclosed
EP-2200991-A1 ANTIBACTERIAL AGENTS Biota Europe Ltd (GB) 2010-06-30 — — EP disclosed
WO-2009037485-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2009-03-26 — — WO disclosed
WO-2009037485-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2009-03-26 — — WO disclosed
US-5583092-A PLANT ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1996-12-10 — — US disclosed
EP-0726261-A1 Herbidical 1,2,4 thiadiazoles American Cyanamid Company (US) 1996-08-14 — — EP disclosed
EP-0726260-A1 Herbicidal (1,2,4)thiadiazoles AMERICAN CYANAMID COMPANY (US) 1996-08-14 — — 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 (4 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-20100273837-A1 ANTIBACTERIAL AGENTS SQOR, SCO2, CYCS PSMB8 2940/4885NOTUM 3465/4885NPC1 1358/4885
US-20180072708-A1 NOVEL OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME APP, BACE1, PSEN1 PSMB8 2009/4885NOTUM 558/4885NPC1 1447/4885
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPC1 PSMB8 3684/4885NOTUM 618/4885NPC1 3/4885
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPPA PSMB8 3221/4885NOTUM 979/4885NPC1 8/4885

“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.

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