SCHEMBL2462781

SCHEMBL2462781

Clc1ccc(-n2nc(C3CCOCC3)c3ccncc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 11/20 0.41
▸ AOC3 Q16853 3/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CYP19A1 P11511 1/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ KHK P50053 1/20 0.35

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
SCHEMBL17704913 0.93 KCNH2 (0.40) KCNH2AOC3GSK3BDYRK1ACYP19A1
SCHEMBL14875848 0.88 AOC3 (0.42) KCNH2AOC3GSK3BDYRK1ACYP11B2
SCHEMBL14875496 0.88 AOC3 (0.48) AOC3GSK3BDYRK1ACNR1CYP11B2
SCHEMBL12327711 0.88 KHK (0.46) KCNH2AOC3GSK3BDYRK1ACYP11B2
SCHEMBL14780472 0.86 AOC3 (0.38) AOC3GSK3BDYRK1ACYP11B2KHK
SCHEMBL14875442 0.86 PRKDC (0.39) AOC3GSK3BDYRK1ACNR1CYP11B2
SCHEMBL14786014 0.85 KCNH2 (0.56) KCNH2AOC3CYP19A1CNR1CYP11B2
SCHEMBL14875457 0.85 CYP19A1 (0.41) AOC3GSK3BDYRK1ACYP19A1CYP11B2
SCHEMBL22997030 0.84 KCNH2 (0.42) KCNH2AOC3CNR1CYP11B2
SCHEMBL22819136 0.83 KCNH2 (0.40) KCNH2CYP19A1CNR1CYP11B2KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 — — US claimed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 — — US claimed
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 — — EP disclosed
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 — — EP disclosed
WO-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 — — WO disclosed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 — — US disclosed
US-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS UPSHER-SMITH LABORATORIES, INC. 2016-04-28 — — US disclosed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 — — US disclosed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 — — US disclosed
US-9227967-B2 Inhibitor compounds of semicarbazide-sensitive amine oxidases PROXIMAGEN LIMITED (GB) 2016-01-05 — — US disclosed
WO-2015189534-A1 VAP-1 INHIBITORS FOR TREATING MUSCULAR DYSTROPHY PROXIMAGEN LIMITED (GB) 2015-12-17 — — WO disclosed
EP-2927233-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2015-10-07 — — EP disclosed
EP-2547677-B1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE PROXIMAGEN LTD (GB) 2015-05-06 — — EP disclosed
EP-2547677-B1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE PROXIMAGEN LTD (GB) 2015-05-06 — — EP disclosed
WO-2014199171-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS PROXIMAGEN LIMITED (GB) 2014-12-18 — — WO disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 — — US disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 — — US disclosed
US-20130102587-A1 New Enzyme Inhibitor Compounds PROXIMAGEN LIMITED (GB) 2013-04-25 — — US disclosed
EP-2547677-A2 INHIBITORS OF SEMICARABAZIDE - SENSITIVE AMINE OXIDASE Proximagen Limited (GB) 2013-01-23 — — EP disclosed
WO-2011113798-A2 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2011-09-22 — — 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 (2 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-20160113893-A1 NEW THERAPEUTIC USES OF ENZYME INHIBITORS VAPB, VAPA, AOX1 KCNH2 3747/4885AOC3 24/4885GSK3B 3629/4885
US-20130102587-A1 New Enzyme Inhibitor Compounds SERPINB1, SSB, NFKBIA KCNH2 4480/4885AOC3 154/4885GSK3B 2563/4885

“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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