SCHEMBL6071057

SCHEMBL6071057

COC(=O)C=Cc1ccc2[nH]ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.64
▸ HDAC2 Q92769 1/20 0.56
▸ APP P05067 4/20 0.55
▸ TTR P02766 1/20 0.55
▸ CYP2A6 P11509 1/20 0.53
▸ PTPN1 P18031 1/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ TYR P14679 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ EPHX2 P34913 1/20 0.51
▸ MAPT P10636 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ GAA P10253 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
SCHEMBL6071053 1.00 BACE1 (0.64) BACE1HDAC2APPTTRCYP2A6
SCHEMBL29820553 0.88 APP (0.64) BACE1HDAC2APPTTRCYP2A6
SCHEMBL2508820 0.88 APP (0.64) BACE1HDAC2APPTTRCYP2A6
SCHEMBL2508821 0.88 APP (0.64) BACE1HDAC2APPTTRCYP2A6
SCHEMBL18255132 0.85 CCNC (0.59) BACE1HDAC2TTRCYP2A6CA12
SCHEMBL3214676 0.83 BACE1 (0.72) BACE1HDAC2APPCYP2A6CA12
SCHEMBL4590213 0.83 BACE1 (0.57) BACE1HDAC2APPCYP2A6MAPT
SCHEMBL4590217 0.83 BACE1 (0.57) BACE1HDAC2APPCYP2A6MAPT
SCHEMBL3214658 0.83 BACE1 (0.72) BACE1HDAC2APPCYP2A6CA12
SCHEMBL6615607 0.83 BACE1 (0.58) BACE1HDAC2APPCYP2A6MAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 — — US disclosed
US-20220106321-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-04-07 — — US disclosed
US-11279704-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-03-22 — — US disclosed
CN-108440370-B Inhibitors of viral replication 鲁汶天主教大学 2021-07-30 — — CN disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 — — EP disclosed
US-10550123-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2020-02-04 — — US disclosed
US-20190337954-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2019-11-07 — — US disclosed
EP-2760831-B1 VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2019-08-07 — — EP disclosed
CN-104024223-A Inhibitors of viral replication UNIV LEUVEN KATH 2014-09-03 — — CN disclosed
EP-2760831-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2014-08-06 — — EP disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 — — US disclosed
WO-2013045516-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-04-04 — — WO disclosed
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 — — US disclosed
EP-1397136-A1 HETEROCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-03-17 — — EP disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 — — US disclosed
WO-2002096424-A1 HETEREOCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-05 — — 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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 BACE1 219/4885HDAC2 1394/4885APP 213/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 BACE1 84/4885HDAC2 1199/4885APP 124/4885
US-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 BACE1 2559/4885HDAC2 980/4885APP 2827/4885
US-11279704-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 BACE1 2559/4885HDAC2 980/4885APP 2827/4885
US-20190337954-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 BACE1 2559/4885HDAC2 980/4885APP 2827/4885
US-10550123-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 BACE1 2559/4885HDAC2 980/4885APP 2827/4885
US-20220106321-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 BACE1 2559/4885HDAC2 980/4885APP 2827/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 BACE1 2559/4885HDAC2 980/4885APP 2827/4885

“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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