SCHEMBL940696

SCHEMBL940696

O=C(O)c1cccc(-c2ncccn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.62
CD74 P04233 1/20 0.57
MIF P14174 1/20 0.57
RXRA P19793 2/20 0.55
RXRB P28702 2/20 0.55
KAT6A Q92794 1/20 0.54
KDM4E B2RXH2 2/20 0.53
KDM6B O15054 1/20 0.53
KDM4A O75164 1/20 0.53
KDM5C P41229 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
KDM2A Q9Y2K7 1/20 0.53
KDM3A Q9Y4C1 1/20 0.53
DDT P30046 1/20 0.53
KEAP1 Q14145 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA6 P23280 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL207017 0.85 KDM4E (0.69) KMOCD74MIFRXRARXRB
SCHEMBL29800516 0.85 KDM4E (0.69) KMOCD74MIFRXRARXRB
SCHEMBL16114065 0.85 KMO (0.58) KMOCD74MIFRXRARXRB
SCHEMBL28069322 0.83 KMO (0.67) KMOCD74MIFRXRARXRB
SCHEMBL31734205 0.83 KMO (0.67) KMOCD74MIFRXRARXRB
SCHEMBL1296686 0.83 KMO (0.56) KMOCD74MIFRXRARXRB
SCHEMBL30725957 0.83 KMO (0.86) KMOCD74MIFRXRARXRB
SCHEMBL29904709 0.83 KMO (0.86) KMOCD74MIFRXRARXRB
SCHEMBL71238 0.83 KMO (0.86) KMOCD74MIFRXRARXRB
SCHEMBL4631461 0.82 PRKCI (0.54) KAT6ANPC1RAB9AMAPK1MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215150-B1 INHIBITORS OF MYOCARDIN-RELATED TRANSCRIPTION FACTOR AND SERUM RESPONSE FACTOR (MRTF/SRF)-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2022-07-20 EP disclosed
EP-3307258-B1 ARYL SULFONOHYDRAZIDES UNIV MONASH (AU) 2020-12-16 EP disclosed
US-10829446-B2 Aryl sulfonohydrazides MONASH UNIVERSITY (AU) 2020-11-10 US disclosed
US-10662183-B2 Inhibitors of myocardin-related transcription factor and serum response factor (MRTF/SRF)-mediated gene transcription and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-05-26 US disclosed
US-20180222857-A1 ARYL SULFONOHYDRAZIDES MONASH UNIVERSITY (AU) 2018-08-09 US disclosed
US-20180222857-A1 ARYL SULFONOHYDRAZIDES MONASH UNIVERSITY (AU) 2018-08-09 US disclosed
EP-2743256-B1 CYCLOPROPANEAMINE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-06-27 EP disclosed
EP-3215150-A2 INHIBITORS OF MYOCARDIN-RELATED TRANSCRIPTION FACTOR AND SERUM RESPONSE FACTOR (MRTF/SRF)-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME The Regents of The University of Michigan (US) 2017-09-13 EP disclosed
US-9682925-B2 Cyclopropaneamine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-20 US disclosed
WO-2016198507-A1 ARYL SULFONOHYDRAZIDES MONASH UNIVERSITY (AU) 2016-12-15 WO 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-2009112826-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHEPSIN S INHIBITORS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO disclosed
WO-2009112839-A1 COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2009-09-17 WO disclosed
EP-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO disclosed
CN-1075716-A The drying of plant materials part and the method that comes off BASF AG (DE) 1993-09-01 CN 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 (6 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-20180222857-A1 ARYL SULFONOHYDRAZIDES FPR3, NCOA3, HAT1 KMO 2194/4885CD74 2492/4885MIF 1716/4885
US-20110009385-A1 COMPOUNDS CTSK, CTSS, MMP9 KMO 2550/4885CD74 3187/4885MIF 841/4885
US-10662183-B2 Inhibitors of myocardin-related transcription factor and serum response factor (MRTF/SRF)-mediated gene transcription and methods for use of the same SREBF1, SREBF2, BPTF KMO 4524/4885CD74 2149/4885MIF 107/4885
US-10829446-B2 Aryl sulfonohydrazides FPR3, NCOA3, HAT1 KMO 2194/4885CD74 2492/4885MIF 1716/4885
US-20110009386-A1 FURO[3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK KMO 495/4885CD74 830/4885MIF 1358/4885
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 KMO 429/4885CD74 3797/4885MIF 4473/4885

“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.