SCHEMBL643378

SCHEMBL643378

COC(=O)/C=C/c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.53
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 0.52
TUBA1B P68363 2/20 0.52
TUBA4A P68366 2/20 0.52
TUBB4B P68371 2/20 0.52
TUBB3 Q13509 2/20 0.52
TUBB2A Q13885 2/20 0.52
TUBB8 Q3ZCM7 2/20 0.52
TUBA3E Q6PEY2 2/20 0.52
TUBA1A Q71U36 2/20 0.52
TUBA1C Q9BQE3 2/20 0.52
TUBB6 Q9BUF5 2/20 0.52
TUBB2B Q9BVA1 2/20 0.52
TUBB1 Q9H4B7 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL643379 1.00 HSP90AA1 (0.53) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL2774905 0.98 HSP90AA1 (0.51) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL2774907 0.98 HSP90AA1 (0.51) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21002177 0.85 NPC1 (0.56) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL21002176 0.85 NPC1 (0.56) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27522303 0.85 KMT2A (0.54) KMT2ANPC1RAB9AMEN1ATM
SCHEMBL27522305 0.85 KMT2A (0.54) KMT2ANPC1RAB9AMEN1ATM
SCHEMBL1515148 0.84 NPC1 (0.48) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2302128 0.81 CA12 (0.51) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29550384 0.81 CA12 (0.51) HSP90AA1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives MEDCURIUS INC. (CN) 2023-09-14 US disclosed
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives MEDCURIUS INC. (CN) 2023-09-14 US disclosed
WO-2021259143-A1 PHARMACEUTICAL USE OF (E)-3-ARYLHETEROCYCLYL PROP-2-ENOIC ACID DERIVATIVES 上海长车生物科技有限公司 2021-12-30 WO disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 WO disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 US disclosed
US-5624922-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1997-04-29 US disclosed
EP-0597540-B1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC (US) 1996-06-05 EP disclosed
WO-1996006093-A1 7-AZABICYCLO[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1996-02-29 WO disclosed
US-5380721-A Aryl-fused and hetaryl-fused-2,4-diazepine and 2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0597540-A1 Aryl-fused and hetaryl-fused-2,4-diazocine antiarrhythmic agents STERLING WINTHROP INC. (US) 1994-05-18 EP 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-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 HSP90AA1 1322/4885TUBB4A 1961/4885TUBB 1604/4885
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives NFE2L2, NFE2, TXNRD2 HSP90AA1 2162/4885TUBB4A 3819/4885TUBB 4384/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 HSP90AA1 1322/4885TUBB4A 1961/4885TUBB 1604/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 HSP90AA1 3294/4885TUBB4A 2149/4885TUBB 2326/4885

“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.