SCHEMBL939949

SCHEMBL939949

O=C(O)c1cccc(-c2nnc[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
CD74 P04233 1/20 0.50
MIF P14174 1/20 0.50
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
ADORA2B P29275 1/20 0.47
MAP2K4 P45985 2/20 0.47
MAPK1 P28482 1/20 0.47
MAPKAPK3 Q16644 1/20 0.47
MAPK6 Q16659 1/20 0.47
KEAP1 Q14145 1/20 0.45
DDT P30046 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 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
SCHEMBL29120849 0.82 ALOX15 (0.38) KMONPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14576244 0.81 KDM4E (0.54) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL31734205 0.76 KMO (0.67) KMONPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2491046 0.76 MTOR (0.45) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL939586 0.75 CD74 (0.53) KMONPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30425732 0.75 CD74 (0.53) KMONPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL71238 0.75 KMO (0.86) KMOHPGDCD74MIFRXRA
SCHEMBL30725957 0.75 KMO (0.86) KMOHPGDCD74MIFRXRA
SCHEMBL29904709 0.75 KMO (0.86) KMOHPGDCD74MIFRXRA
SCHEMBL19559083 0.74 NPC1 (0.54) KMONPC1RAB9ASMN1; SMN2KDM4E

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 15 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
US-8008290-B2 Compounds AMURA THERAPEUTICS LIMITED (GB) 2011-08-30 US disclosed
US-20110009385-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2011-01-13 US disclosed
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2011-01-13 US 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 (7 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 KMO 546/4885NPC1 980/4885RAB9A 333/4885
US-20110009385-A1 COMPOUNDS CTSK, CTSS, MMP9 KMO 2550/4885NPC1 392/4885RAB9A 143/4885
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KMO 495/4885NPC1 1005/4885RAB9A 249/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KMO 546/4885NPC1 980/4885RAB9A 333/4885
US-20150164912-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KMO 546/4885NPC1 980/4885RAB9A 333/4885
US-20140038944-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KMO 546/4885NPC1 980/4885RAB9A 333/4885
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KMO 495/4885NPC1 1005/4885RAB9A 249/4885

“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.