SCHEMBL1430541

SCHEMBL1430541

O=C(CBr)Nc1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.76
▸ NPC1 O15118 5/20 0.63
▸ RAB9A P51151 5/20 0.63
▸ PKM P14618 3/20 0.63
▸ HDAC3 O15379 2/20 0.59
▸ HDAC4 P56524 2/20 0.59
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC7 Q8WUI4 2/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC10 Q969S8 2/20 0.59
▸ HDAC11 Q96DB2 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ HDAC9 Q9UKV0 2/20 0.59
▸ HDAC5 Q9UQL6 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ KMT2A Q03164 3/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ MEN1 O00255 2/20 0.58

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
SCHEMBL6245092 0.86 GAA (1.00) GAANPC1RAB9APKMHDAC3
SCHEMBL4491035 0.83 GAA (0.79) GAANPC1RAB9APKMHDAC3
SCHEMBL7006640 0.83 GAA (0.79) GAANPC1RAB9APKMHDAC3
SCHEMBL318557 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL22281652 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL1185012 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL30071250 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL8285860 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3
SCHEMBL12426307 0.81 GAA (0.82) GAANPC1RAB9APKMHDAC3
SCHEMBL30440440 0.81 GAA (0.76) GAANPC1RAB9APKMHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022258007-A1 SALT AND CRYSTAL FORM OF PYRAZOLE-CONTAINING POLYCYCLIC DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-12-15 — — WO disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 — — EP disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 — — US disclosed
CN-102908624-A Pharmaceutical product comprising a muscarinic receptor antagonist and a beta2-adrenoceptor agonist ASTRAZENECA SWEDEN AB 2013-02-06 — — CN disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 — — US disclosed
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 — — US disclosed
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-01-31 — — US disclosed
CN-102088976-B Comprising a muscarinic receptor antagonist and beta2-pharmaceutical products of adrenoreceptor agonists ASTRAZENECA AB 2012-12-26 — — CN disclosed
US-8329729-B2 Quinuclidine derivatives as muscarinic M3 receptor antagonists ASTRAZENECA AB (SE) 2012-12-11 — — US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 — — US disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 — — EP disclosed
US-20060040949-A1 Novel compounds with antibacterial activity MORPHOCHEM AG 2006-02-23 — — US disclosed
EP-1551829-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2005-07-13 — — EP disclosed
US-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 — — US disclosed
WO-2004035569-A2 NOVEL COMPOUNDS WITH ANTIBACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2004-04-29 — — WO disclosed
US-20040053928-A1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-18 — — US disclosed
EP-1373247-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES THEREOF TANABE SEIYAKU CO., LTD. (JP) 2004-01-02 — — EP disclosed
EP-1320529-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-25 — — EP disclosed
WO-2002079189-A2 SPIROISOQUINOLINE COMPOUNDS, METHODS FOR THEIR PREPARATION AND INTERMEDIATES TANABE SEIYAKU CO., LTD. (JP) 2002-10-10 — — WO disclosed
WO-2002024684-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 — — 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 (4 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-20040053928-A1 Quinoline derivatives as antibacterials AAAS, QDPR, QARS1 GAA 2224/4885NPC1 3236/4885RAB9A 581/4885
US-20060040949-A1 Novel compounds with antibacterial activity MRPL21, Q6ZSR9, MRPL19 GAA 807/4885NPC1 959/4885RAB9A 529/4885
US-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 GAA 3263/4885NPC1 566/4885RAB9A 1884/4885
US-20130030001-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM5 GAA 1902/4885NPC1 2038/4885RAB9A 1456/4885

“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.

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