SCHEMBL191052

SCHEMBL191052

NC(=O)c1cccc(OBOc2cccc(C(N)=O)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.65
PARP10 Q53GL7 2/20 0.61
TNKS O95271 1/20 0.61
PARP15 Q460N3 1/20 0.61
PARP14 Q460N5 1/20 0.61
TNKS2 Q9H2K2 1/20 0.61
PARP2 Q9UGN5 1/20 0.61
STS P08842 2/20 0.47
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
OPRK1 P41145 2/20 0.46
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL289656 0.82 KMT2A (0.57) PARP1L3MBTL1CES2CES1MEN1
SCHEMBL132082 0.82 AKR1C3 (0.63) KMT2AAKR1C3
SCHEMBL27840823 0.79 AKR1C3 (0.65) TSHRKMT2AAKR1C3
SCHEMBL29503138 0.78 PARP1 (1.00) PARP1PARP10TNKSPARP15PARP14
SCHEMBL283787 0.78 PARP1 (1.00) PARP1PARP10TNKSPARP15PARP14
SCHEMBL28870970 0.78 MEN1 (0.73) PARP1PARP10TNKSPARP15PARP14
SCHEMBL177641 0.78 SMN1; SMN2 (0.55) PARP1TSHRPOLBMAPTBLM
Hydrochloric Acid SCHEMBL407554 0.77 PARP1 (0.96) PARP1PARP10TNKSPARP15PARP14
SCHEMBL2531295 0.77 PARP10 (0.83) PARP1PARP10TNKSPARP15PARP14
SCHEMBL30434552 0.77 PARP10 (0.83) PARP1PARP10TNKSPARP15PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023177351-A1 NF ҚB INDUCING KINASE INHIBITORS AND METHODS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-09-21 WO disclosed
US-11440887-B2 Substituted 1,2,3,4-tetrahydroquinolines as inhibitors of repair enzyme 8-oxoguanine deoxyribonucleic acid glycosylase activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-09-13 US disclosed
US-20200190034-A1 Inhibitors of Base Excision Repair Activity and Therapeutic Methods Based Thereon THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-06-18 US disclosed
EP-3664790-A1 INHIBITORS OF BASE EXCISION REPAIR ACTIVITY AND THERAPEUTIC METHODS BASED THEREON The Board of Trustees of the Leland Stanford Junior University (US) 2020-06-17 EP disclosed
US-10426766-B2 Crystalline forms of an 8-azabicyclo[3.2.1]octane compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-01 US disclosed
WO-2019032563-A1 INHIBITORS OF BASE EXCISION REPAIR ACTIVITY AND THERAPEUTIC METHODS BASED THEREON THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-14 WO disclosed
EP-3037420-B1 PROCESS FOR PREPARING AN INTERMEDIATE TO MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-09-12 EP disclosed
US-20180200246-A1 CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-19 US disclosed
US-9949963-B2 Crystalline forms of an 8-azabicyclo[3.2.1]octane compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-04-24 US disclosed
US-9943519-B2 Pharmaceutical compounds GENENTECH, INC. (US) 2018-04-17 US disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 WO disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 WO disclosed
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
US-7109354-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US disclosed
US-20050059726-A1 Pyrrolidine-2-ones as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-03-17 US disclosed
EP-1456172-A1 PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US disclosed
WO-2003053925-A1 PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-07-03 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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R PARP1 4767/4885PARP10 4070/4885TNKS 3473/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R PARP1 4385/4885PARP10 3629/4885TNKS 2352/4885
US-20180200246-A1 CRYSTALLINE FORMS OF AN 8-AZABICYCLO[3.2.1]OCTANE COMPOUND OPRM1, SIGMAR1, OPRD1 PARP1 4447/4885PARP10 3475/4885TNKS 4547/4885
US-10426766-B2 Crystalline forms of an 8-azabicyclo[3.2.1]octane compound OPRM1, SIGMAR1, OPRD1 PARP1 4447/4885PARP10 3475/4885TNKS 4547/4885
US-11440887-B2 Substituted 1,2,3,4-tetrahydroquinolines as inhibitors of repair enzyme 8-oxoguanine deoxyribonucleic acid glycosylase activity OGG1, UNG, MPG PARP1 69/4885PARP10 155/4885TNKS 269/4885
US-20050059726-A1 Pyrrolidine-2-ones as factor xa inhibitors TFPI, F2, SERPINC1 PARP1 180/4885PARP10 202/4885TNKS 217/4885
US-20200190034-A1 Inhibitors of Base Excision Repair Activity and Therapeutic Methods Based Thereon OGG1, UNG, MPG PARP1 67/4885PARP10 79/4885TNKS 151/4885

“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.