SCHEMBL4059828

SCHEMBL4059828

O=C(O)c1cccc(-c2ccno2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.57
CD74 P04233 1/20 0.54
MIF P14174 1/20 0.54
KMO O15229 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAOA P21397 1/20 0.48
BLVRB P30043 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PTPN1 P18031 1/20 0.46
VCP P55072 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL59719 0.85 MAOA (0.64) KEAP1CD74MIFKMOL3MBTL1
SCHEMBL9848178 0.81 CYP1A2 (0.50) KEAP1CD74MIFL3MBTL1POLB
SCHEMBL2710232 0.80 CD74 (0.42) KEAP1CD74MIFKMOMAOA
SCHEMBL9848195 0.78 TP53 (0.58) POLBALDH1A1NPC1RAB9ACYP1A2
SCHEMBL30725957 0.75 KMO (0.86) KEAP1CD74MIFKMORXRA
SCHEMBL71238 0.75 KMO (0.86) KEAP1CD74MIFKMORXRA
SCHEMBL29904709 0.75 KMO (0.86) KEAP1CD74MIFKMORXRA
SCHEMBL27103110 0.74 PTPN1 (0.55) KEAP1KMOL3MBTL1POLBKDM4E
SCHEMBL30782369 0.74 PTPN1 (0.55) KEAP1KMOL3MBTL1POLBKDM4E
SCHEMBL2975591 0.74 DHODH (0.51) POLBKDM4EALDH1A1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-12-15 US disclosed
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-01-21 US disclosed
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2015-06-18 US disclosed
US-8933109-B2 Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors AMURA LIMITED (GB) 2015-01-13 US disclosed
US-20140038944-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2014-02-06 US disclosed
US-8552202-B2 Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors AMURA THERAPEUTICS LIMITED (GB) 2013-10-08 US disclosed
US-20130150345-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2013-06-13 US disclosed
US-8389737-B2 Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors AMURA THERAPEUTICS LIMITED (GB) 2013-03-05 US disclosed
EP-2297162-B1 COMPOUNDS AMURA THERAPEUTICS LTD (GB) 2012-08-15 EP disclosed
EP-2283022-B1 FURO [3, 2-B]PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2012-07-18 EP disclosed
WO-2009112839-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO disclosed
WO-2009112826-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 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 (5 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-20130150345-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KEAP1 3654/4885CD74 1040/4885MIF 984/4885
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KEAP1 3543/4885CD74 830/4885MIF 1358/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KEAP1 3654/4885CD74 1040/4885MIF 984/4885
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KEAP1 3654/4885CD74 1040/4885MIF 984/4885
US-20140038944-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KEAP1 3654/4885CD74 1040/4885MIF 984/4885

“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.