SCHEMBL2458499

SCHEMBL2458499

N#C/C(=C\c1ccc(Br)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.71
CISD1 Q9NZ45 1/20 0.71
KDM4E B2RXH2 1/20 0.71
SLC16A3 O15427 1/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP3A4 P08684 1/20 0.71
HPGD P15428 1/20 0.71
SLC16A1 P53985 1/20 0.71
GPR35 Q9HC97 1/20 0.71

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
SCHEMBL2464902 1.00 EGFR (0.71) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL30249910 0.91 ALDH1A1 (0.59) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL4600832 0.90 EGFR (0.85) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL10413058 0.90 EGFR (0.85) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL4600830 0.90 EGFR (0.85) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL29382887 0.87 ALDH1A1 (0.55) EGFRCISD1KDM4ESLC16A3ALDH1A1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL437568 0.83 KDM4E (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1
SCHEMBL8749181 0.83 EGFR (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL26825 0.83 KDM4E (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1
Alpha-Cyano-4-Hydroxycinnamic Acid SCHEMBL26826 0.83 KDM4E (1.00) EGFRCISD1KDM4ESLC16A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542897-B1 Use of halogenated cyanocinnamic acid derivatives as matrices in MALDI mass spectrometry SIGMA ALDRICH INTERNAT GMBH (CH) 2015-06-17 EP claimed
US-20130040395-A1 USE OF HALOGENATED DERIVATIVES OF THE CYANOCINNAMIC ACID AS MATRICES IN MALDI MASS SPECTROMETRY Johann Wolfgang Goethe-Universität (DE) 2013-02-14 US claimed
EP-2542897-A1 USE OF HALOGENATED CYANOCINNAMIC ACID DERIVATIVES AS MATRICES IN MALDI MASS SPECTROMETRY Johann Wolfgang Goethe-Universität (DE) 2013-01-09 EP claimed
WO-2011107076-A1 USE OF HALOGENATED CYANOCINNAMIC ACID DERIVATIVES AS MATRICES IN MALDI MASS SPECTROMETRY Johann Wolfgang Goethe-Universität (DE) 2011-09-09 WO claimed
US-20250102517-A1 ARTICLES AND METHODS INVOLVING DETECTION OF BINDING CHARLES RIVER LABORATORIES INTERNATIONAL, INC. (US) 2025-03-27 US disclosed
US-12135330-B2 Articles and methods involving detection of binding CHARLES RIVER LABORATORIES INTERNATIONAL, INC. (US) 2024-11-05 US disclosed
EP-4407317-A2 ARTICLES AND METHODS INVOLVING DETECTION OF BINDING Charles River Laboratories, Inc. (US) 2024-07-31 EP disclosed
EP-3601609-B1 ARTICLES AND METHODS INVOLVING DETECTION OF BINDING CHARLES RIVER LABORATORIES INC (US) 2024-07-03 EP disclosed
EP-3601609-A1 ARTICLES AND METHODS INVOLVING DETECTION OF BINDING Samdi Tech, Inc. (US) 2020-02-05 EP disclosed
WO-2018183482-A1 ARTICLES AND METHODS INVOLVING DETECTION OF BINDING SAMDI TECH, INC. (US) 2018-10-04 WO disclosed
EP-2780330-B1 1-PYRIDAZINYL-HYDROXYIMINO- 3- PHENYL- PROPANES AS GPBAR1 AGONISTS HOFFMANN LA ROCHE (CH) 2016-01-06 EP disclosed
US-9090565-B2 1-pyridazinyl-hydroxyimino-3-phenyl-propanes HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
WO-2011107076-A1 USE OF HALOGENATED CYANOCINNAMIC ACID DERIVATIVES AS MATRICES IN MALDI MASS SPECTROMETRY Johann Wolfgang Goethe-Universität (DE) 2011-09-09 WO disclosed
EP-1565464-B1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-07-23 EP disclosed
US-7342024-B2 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROST CANADA LTD. (CA) 2008-03-11 US disclosed
US-7238706-B2 4-oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA, LTD. (CA) 2007-07-03 US disclosed
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-03-16 US disclosed
EP-1565464-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS Merck Frosst Canada & Co. (CA) 2005-08-24 EP disclosed
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors MERCK CANADA INC. (CA) 2005-05-19 US disclosed
WO-2004048374-A1 4-OXO-1-(3-SUBSTITUTED PHENYL-1,4-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXAMIDE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-06-10 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 (3 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-20130040395-A1 USE OF HALOGENATED DERIVATIVES OF THE CYANOCINNAMIC ACID AS MATRICES IN MALDI MASS SPECTROMETRY DOHH, DBH, CBR3 EGFR 1800/4885CISD1 65/4885KDM4E 3943/4885
US-20050107402-A1 4-Oxo-1-(3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 EGFR 4574/4885CISD1 3357/4885KDM4E 448/4885
US-20060058316-A1 4-Oxo-1-3-substituted phenyl-1,4-dihydro-1,8-naphthyridine-3-carboxamide phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 EGFR 4654/4885CISD1 2684/4885KDM4E 456/4885

“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.