SCHEMBL1820807

SCHEMBL1820807

CCC(=O)NCCc1ccc(OC)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.69
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
CA9 Q16790 1/20 0.69
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
MAPT P10636 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.64
MTNR1A P48039 1/20 0.64
MTNR1B P49286 1/20 0.64

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
SCHEMBL5030284 0.90 KMT2A (0.64) CA12CA1CA2CA9KMT2A
SCHEMBL18932186 0.88 CA1 (0.57) CA1CA2
SCHEMBL5192269 0.88 KMT2A (0.74) CA12CA1CA2CA9KMT2A
SCHEMBL13250295 0.88 MTNR1A (0.65) KMT2AMEN1MAPTSMN1; SMN2MTNR1A
SCHEMBL30738251 0.88 CA1 (0.79) CA12CA1CA2CA9KMT2A
SCHEMBL248400 0.88 CA1 (0.79) CA12CA1CA2CA9KMT2A
SCHEMBL3348400 0.88 CA1 (0.69) CA12CA1CA2CA9KMT2A
SCHEMBL9051137 0.88 CA1 (0.69) CA12CA1CA2CA9KMT2A
SCHEMBL4022887 0.88 KMT2A (0.87) CA12CA1CA2CA9KMT2A
SCHEMBL17205863 0.87 CA1 (0.62) CA1CA2KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
CN-107531703-B Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory diseases 加拉帕戈斯股份有限公司 2020-09-01 CN disclosed
EP-3286191-B1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-07-29 EP disclosed
EP-3286191-B1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-07-29 EP disclosed
US-10568879-B2 Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2020-02-25 US disclosed
US-10568879-B2 Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2020-02-25 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 US disclosed
US-10155259-B2 FSH receptor antagonists MERCK SHARP & DOHME B.V. (NL) 2018-12-18 US disclosed
EP-3286191-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos NV (BE) 2018-02-28 EP disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
EP-1896419-A1 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES HANWHA CHEMICAL CORPORATION (KR) 2008-03-12 EP disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
WO-2007025751-A1 USE OF FUSED IMIDAZOLE DERIVATIVES TO MEDIATE CCR3 RELATED CONDITIONS NOVARTIS AG (CH) 2007-03-08 WO disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
WO-2006129978-A1 3,4-DIHYDROISOQUINOLINIUM SALT DERIVATIVES HANWHA CHEMICAL CORPORATION (KR) 2006-12-07 WO disclosed
CN-1346272-A Cystine derivatives as therapeutic agents for matrix metalloprotease related diseases ROCHE DIGNOSTICS GMBH (DE) 2002-04-24 CN 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 (9 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-10568879-B2 Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GPR84, GPR88, GPR65 CA12 3358/4885CA1 2978/4885CA2 2047/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 CA12 3912/4885CA1 4780/4885CA2 3271/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 CA12 4365/4885CA1 4067/4885CA2 1880/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET CA12 4302/4885CA1 4476/4885CA2 2075/4885
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions CCR3, CCR1, CCR4 CA12 3588/4885CA1 3077/4885CA2 3241/4885
US-10155259-B2 FSH receptor antagonists FSHR, GNRHR, LHCGR CA12 2950/4885CA1 3275/4885CA2 2600/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS CA12 4647/4885CA1 4870/4885CA2 4606/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS CA12 4647/4885CA1 4870/4885CA2 4606/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET CA12 4302/4885CA1 4476/4885CA2 2075/4885

“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.