SCHEMBL587088

SCHEMBL587088

COc1cc(I)c(C=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.42
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NNMT P40261 1/20 0.38
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKDC P78527 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
SRC P12931 1/20 0.34
TRIM24 O15164 1/20 0.33
TYR P14679 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL23641161 0.85 ERN1 (0.42) ERN1MCL1ALDH1A1KDM4ETSHR
SCHEMBL10321799 0.81 ALDH1A1 (0.42) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL4983077 0.79 ALDH1A1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL29953846 0.79 NNMT (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL30211775 0.79 ALDH1A1 (0.53) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL587068 0.79 NNMT (0.50) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL17161149 0.78 ERN1 (0.51) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL31573430 0.78 ERN1 (0.42) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL25224579 0.78 PRKDC (0.52) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL29956034 0.78 ERN1 (0.42) ERN1ALDH1A1KDM4ETSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144848-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 US disclosed
US-20220144848-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-12 US disclosed
EP-3898634-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
CN-108164513-B Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders 拜耳制药股份公司 2021-05-07 CN disclosed
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
WO-2020127508-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
WO-2020127508-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed
EP-2978756-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Pharma AG (DE) 2019-03-27 EP disclosed
EP-2978756-B1 SUBSTITUTED OXOPYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer Pharma AG (DE) 2019-03-27 EP disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
EP-1831196-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2007-09-12 EP disclosed
EP-1831199-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065216-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065216-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065215-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-22 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 (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-20220144848-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES MVD, VASP, SELP ERN1 3963/4885MCL1 2179/4885ALDH1A1 1764/4885
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 ERN1 3462/4885MCL1 2721/4885ALDH1A1 169/4885
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 ERN1 3462/4885MCL1 2721/4885ALDH1A1 169/4885

“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.