SCHEMBL1590871

SCHEMBL1590871

O=C(O)NC1Cc2ccc(Br)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA12 O43570 5/20 0.44
CA7 P43166 5/20 0.44
CA14 Q9ULX7 5/20 0.44
PRMT5 O14744 1/20 0.44
CA9 Q16790 4/20 0.43
PNMT P11086 5/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
GRM7 Q14831 2/20 0.40
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL20722746 0.87 CA1 (0.50) CA1CA2PRMT5PNMTADRA2A
SCHEMBL7450046 0.87 HDAC8 (0.52) CA1CA2HDAC8FAAH
SCHEMBL20722885 0.87 CA1 (0.50) CA1CA2PRMT5PNMTADRA2A
SCHEMBL7450053 0.87 HDAC8 (0.52) CA1CA2HDAC8FAAH
SCHEMBL1741607 0.87 CA1 (0.50) CA1CA2PRMT5PNMTADRA2A
SCHEMBL4808483 0.85 CA1 (0.61) CA1CA2CA12CA7CA14
SCHEMBL6196616 0.82 APOB (0.45) CA1CA2CA12CA7CA14
SCHEMBL6199303 0.82 APOB (0.45) CA1CA2CA12CA7CA14
SCHEMBL4782371 0.81 CA1 (0.52) CA1CA2CA12CA7CA14
SCHEMBL11896240 0.81 CA1 (0.49) CA1CA2CA12CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141998-A1 METHOD OF TREATING TAUOPATHIES GT GAIN THERAPEUTICS SA (CH) 2024-07-04 WO disclosed
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 US disclosed
EP-4100381-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-12-14 EP disclosed
EP-3927699-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN Nalo Therapeutics (US) 2021-12-29 EP disclosed
US-20210369710-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2021-12-02 US disclosed
WO-2021158481-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-08-12 WO disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
CN-102516115-B As the antagonist of Opioid Receptors or the new compound of inverse agonist SMITHKLINE BEECHAN CORP. (US) 2016-05-11 CN disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2011-04-21 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
WO-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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 (8 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 CA1 4775/4885CA2 4679/4885CA12 4830/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 CA1 3837/4885CA2 3545/4885CA12 3817/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 CA1 4769/4885CA2 4701/4885CA12 4826/4885
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF ENPP2, NMT2, NMT1 CA1 288/4885CA2 842/4885CA12 835/4885
US-20210369710-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 CA1 4872/4885CA2 4818/4885CA12 4725/4885
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 CA1 4777/4885CA2 4740/4885CA12 4828/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 CA1 4029/4885CA2 2823/4885CA12 4245/4885
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS GRIK5, GRIN3A, GRIK2 CA1 982/4885CA2 1683/4885CA12 3376/4885

“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.