SCHEMBL1800977

SCHEMBL1800977

Brc1cccc(CCOC2CCCCO2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
CA2 P00918 5/20 0.44
CA1 P00915 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
DHFR P00374 1/20 0.37

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
SCHEMBL4070469 1.00 KDM4C (0.51) KDM4CL3MBTL1CA2CA1NPC1
SCHEMBL4074819 0.92 KDM4C (0.46) KDM4CL3MBTL1CA2CA1NPC1
SCHEMBL4074827 0.92 KDM4C (0.46) KDM4CL3MBTL1CA2CA1NPC1
SCHEMBL7852875 0.86 CA2 (0.45) KDM4CCA2CA1CA12CA9
SCHEMBL29865973 0.86 CA2 (0.45) KDM4CCA2CA1CA12CA9
SCHEMBL5422297 0.84 KDM4C (0.51) KDM4CL3MBTL1CA2CA1NPC1
SCHEMBL10686057 0.84 KDM4C (0.51) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL14065688 0.84 KDM4C (0.51) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL13953759 0.84 KDM4C (0.51) KDM4CL3MBTL1CA2CA1NPC1
SCHEMBL4078714 0.83 KDM4C (0.49) KDM4CL3MBTL1CA2CA1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
EP-3559011-B1 ANTIVIRAL ESTER PRODRUGS OF TENOFOVIR MERCK SHARP & DOHME (US) 2022-04-13 EP disclosed
EP-3559011-B1 ANTIVIRAL ESTER PRODRUGS OF TENOFOVIR MERCK SHARP & DOHME (US) 2022-04-13 EP disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 CN disclosed
US-10519159-B2 Antiviral aliphatic ester prodrugs of tenofovir MERCK SHARP & DOHME CORP. (US) 2019-12-31 US disclosed
EP-3559011-A1 ANTIVIRAL ALIPHATIC ESTER PRODRUGS OF TENOFOVIR Merck Sharp & Dohme Corp. (US) 2019-10-30 EP disclosed
US-20180179208-A1 ANTIVIRAL ALIPHATIC ESTER PRODRUGS OF TENOFOVIR MERCK SHARP & DOHME CORP. (US) 2018-06-28 US disclosed
US-20180179208-A1 ANTIVIRAL ALIPHATIC ESTER PRODRUGS OF TENOFOVIR MERCK SHARP & DOHME CORP. (US) 2018-06-28 US disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
WO-2006066913-A2 BENZAMIDE SUBSTITUTED IMIDAZO- AND PYROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
EP-1307447-B1 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA HOFFMANN LA ROCHE (CH) 2004-12-15 EP disclosed
US-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2004-06-10 US disclosed
EP-1403258-A1 DIHYDRODIARYLOXAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE DERIVATIVE Ajinomoto Co., Inc. (JP) 2004-03-31 EP disclosed
EP-1307447-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2003-05-07 EP disclosed
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GONG LEYI (US) 2002-12-12 US disclosed
US-6479490-B2 TREATMENT OF DISEASES CHARACTERIZED BY EXCESS TH2 CYTOKINES AND/ OR AN EXCESS IGE PRODUCTION. SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta SYNTEX (U.S.A.) LLC 2002-05-02 US disclosed
WO-2002010158-A2 3-INDOLYL-4-PHENYL-1H-PYRROLE-2,5-DIONE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3BETA F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 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 (7 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 KDM4C 480/4885L3MBTL1 4871/4885CA2 363/4885
US-10519159-B2 Antiviral aliphatic ester prodrugs of tenofovir TYMP, PNP, GART KDM4C 2007/4885L3MBTL1 2281/4885CA2 4183/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 KDM4C 480/4885L3MBTL1 4871/4885CA2 363/4885
US-20040110742-A1 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same CYP3A4, PPARD, CYP4B1 KDM4C 1121/4885L3MBTL1 4810/4885CA2 2657/4885
US-20020052397-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL KDM4C 2961/4885L3MBTL1 4570/4885CA2 1632/4885
US-20020188018-A1 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta GSK3B, GSK3A, PYGL KDM4C 1889/4885L3MBTL1 4448/4885CA2 1338/4885
US-20180179208-A1 ANTIVIRAL ALIPHATIC ESTER PRODRUGS OF TENOFOVIR TYMP, PNP, GART KDM4C 1992/4885L3MBTL1 2305/4885CA2 4235/4885

“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.