SCHEMBL1905326

SCHEMBL1905326

COc1cc(C(=O)O)c(OC)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
NNMT P40261 2/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKAG1 P54619 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MYC P01106 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL30539297 1.00 TDP1 (0.53) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL1901245 0.83 ALDH1A1 (0.47) TDP1POLBALDH1A1KDM4ENNMT
SCHEMBL3658112 0.81 POLB (0.44) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL17141437 0.79 POLB (0.43) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL3650280 0.79 TDP1 (0.47) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL3574275 0.77 TDP1 (0.41) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL19330148 0.76 TDP1 (0.61) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL29774203 0.74 NNMT (0.56) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL19330176 0.74 TDP1 (0.59) TDP1POLBLMNAALDH1A1KDM4E
SCHEMBL1291135 0.74 POLB (0.59) TDP1POLBLMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-8598175-B2 Heteroarylamide pyrimidone derivatives SANOFI (FR) 2013-12-03 US claimed
EP-2162443-B1 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-31 EP claimed
CN-101563328-B substituted heteroaryl Pyridopyrimidinone derivatives SANOFI AVENTIS 2012-03-14 CN claimed
CN-101679306-B Heteroaryl amide substituted pyrimidone derivatives for the treatment of neurodegenerative diseases SANOFI-AVENTIS (FR) 2011-12-28 CN claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-01 US claimed
CN-101679306-A Heteroaryl amide substituted pyrimidone derivatives for the treatment of neurodegenerative diseases SANOFI AVENTIS 2010-03-24 CN claimed
CN-101563328-A Substituted heteroaryl pyridopyrimidinone derivatives SANOFI AVENTIS (FR) 2009-10-21 CN claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-1992621-A1 Heteroarylamide-substituted pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 EP claimed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP claimed
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
CN-117304130-A MCL-1 inhibitors 吉利德科学公司 2023-12-29 CN disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
CN-112118845-B MCL-1 inhibitors 吉利德科学公司 2023-06-13 CN disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed
WO-2008155666-A2 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2008-12-24 WO disclosed
EP-1992621-A1 Heteroarylamide-substituted pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 EP disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 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 (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-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 TDP1 764/4885POLB 1069/4885LMNA 1458/4885
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES DHFR, DPYD, HPRT1 TDP1 1512/4885POLB 1484/4885LMNA 3830/4885

“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.