SCHEMBL4939178

SCHEMBL4939178

COC(=O)c1cc(C(C)=O)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
KDM6B O15054 2/20 0.50
KDM5C P41229 2/20 0.50
KDM4C Q9H3R0 2/20 0.50
KDM2A Q9Y2K7 2/20 0.50
KDM3A Q9Y4C1 2/20 0.50
ALDH1A1 P00352 3/20 0.49
AR P10275 1/20 0.48
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
TET3 O43151 1/20 0.47
KDM4A O75164 1/20 0.47
BBOX1 O75936 1/20 0.47
KDM5A P29375 1/20 0.47
ASPH Q12797 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
TET2 Q6N021 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
KDM7A Q6ZMT4 1/20 0.47
KDM8 Q8N371 1/20 0.47

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
SCHEMBL30236802 1.00 KDM4E (0.50) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL70350 0.89 KDM4E (0.62) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30065796 0.89 KDM4E (0.62) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1759313 0.86 KDM4E (0.58) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL2716237 0.86 KDM4E (0.68) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30378954 0.86 KDM4E (0.58) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30745026 0.86 KDM4E (0.68) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29272221 0.85 KDM4E (0.47) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30236724 0.85 KDM4E (0.47) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL24572936 0.84 MAP4K4 (0.49) ALDH1A1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3529247-B1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS HK LTD (HK) 2021-08-18 EP disclosed
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS Hepagene Therapeutics (HK) Limited (HK) 2019-08-15 US disclosed
WO-2018075207-A1 HETEROCYCLIC FXR MODULATORS HEPAGENE THERAPEUTICS, INC. (VG) 2018-04-26 WO disclosed
CN-101321753-A Novel imidazo [4,5 -b] pyridine derivatives as inhibitors of glycogen synthase kinase 3 for use in the treatment of dementia and neurodegenerative disorders ASTRAZENECA AB (SE) 2008-12-10 CN disclosed
US-20080255085-A1 Novel Imidazo [4,5-b] Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase 3 for Use in the Treatment of Dementia and Neurodegenerative Disorders ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1937680-A2 NOVEL IMIDAZO [4,5 -B] PYRIDINE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR USE IN THE TREATMENT OF DEMENTIA AND NEURODEGENERATIVE DISORDERS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007040438-A2 NOVEL IMIDAZO [4,5 -B] PYRIDINE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 FOR USE IN THE TREATMENT OF DEMENTIA AND NEURODEGENERATIVE DISORDERS ASTRAZENECA AB (SE) 2007-04-12 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 (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-20080255085-A1 Novel Imidazo [4,5-b] Pyridine Derivatives as Inhibitors of Glycogen Synthase Kinase 3 for Use in the Treatment of Dementia and Neurodegenerative Disorders GSK3B, GSK3A, PYGB KDM4E 923/4885KDM6B 920/4885KDM5C 1345/4885
US-20190248752-A1 HETEROCYCLIC FXR MODULATORS NR1H4, FXR1, NR1H2 KDM4E 4596/4885KDM6B 4528/4885KDM5C 4586/4885

“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.