SCHEMBL5452956

SCHEMBL5452956

O=Cc1cc2ccc(OCc3ccccc3)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.54
CYP2A6 P11509 1/20 0.51
MAOA P21397 3/20 0.51
MAOB P27338 3/20 0.51
CYP3A4 P08684 2/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
MTNR1A P48039 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPT P10636 1/20 0.45

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
SCHEMBL21406016 0.89 ALOX5 (0.54) ALOX5CYP2A6MAOAMAOBCYP3A4
SCHEMBL18003399 0.83 MAPT (0.60) MAOAMAOBMAPTL3MBTL1MRGPRX4
SCHEMBL17338671 0.81 ALOX5 (0.51) ALOX5MAOAMAOBCYP3A4NPC1
SCHEMBL9136135 0.78 ALOX5 (0.58) ALOX5MAOAMAOBCYP3A4NPC1
SCHEMBL27970437 0.78 ALOX5 (0.58) ALOX5MAOAMAOBCYP3A4NPC1
SCHEMBL27643424 0.78 ALOX5 (0.58) ALOX5MAOAMAOBCYP3A4NPC1
SCHEMBL17338662 0.78 ALOX5 (0.48) ALOX5MAOAMAOBCYP3A4NPC1
SCHEMBL17347192 0.78 NR4A2 (0.54) ALOX5CYP3A4MEN1KMT2ACA12
SCHEMBL6807350 0.77 ALOX5 (0.57) ALOX5MAOAMAOBCYP3A4NPC1
SCHEMBL27664686 0.77 ALOX5 (0.57) ALOX5MAOAMAOBCYP3A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 CN disclosed
EP-3774764-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS Merck Sharp&Dohme Corp. (US) 2021-02-17 EP disclosed
CN-111971277-A Benzothiophenes and related compounds as STING agonists 默沙东公司 2020-11-20 CN disclosed
US-10793557-B2 Sting agonist compounds MERCK SHARP & DOHME CORP. (US) 2020-10-06 US disclosed
US-10793557-B2 Sting agonist compounds MERCK SHARP & DOHME CORP. (US) 2020-10-06 US disclosed
WO-2019195124-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 WO disclosed
WO-2019195124-A1 BENZOTHIOPHENES AND RELATED COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-10-10 WO disclosed
US-20190300513-A1 STING AGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-10-03 US disclosed
US-20190300513-A1 STING AGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2019-10-03 US disclosed
CN-1890221-B 1-N-phenyl-amino-1H-imidazole derivatives and pharmaceutical compositions containing them THERAMEX 2014-07-16 CN disclosed
US-8476455-B2 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2013-07-02 US disclosed
US-20070112009-A1 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them LABORATOIRE THERAMEX (MC) 2007-05-17 US disclosed
CN-1890221-A 1-N-phenyl-amino-1H-imidazole derivatives and pharmaceutical compositions containing them THERAMEX (MC) 2007-01-03 CN disclosed
EP-1694650-A1 1-N-PHENYL-AMINO-1H-IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2006-08-30 EP disclosed
WO-2005058842-A1 1-N-PHENYL-AMINO-1H-IMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATOIRE THERAMEX (MC) 2005-06-30 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-20190300513-A1 STING AGONIST COMPOUNDS STING1, CGAS, IRF3 ALOX5 2004/4885CYP2A6 3504/4885MAOA 3065/4885
US-10793557-B2 Sting agonist compounds STING1, CGAS, IRF3 ALOX5 2004/4885CYP2A6 3504/4885MAOA 3065/4885
US-20070112009-A1 1-N-phenyl-amino-1h-imidazole derivatives and pharmaceutical compositions containing them H1-0, H1-5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALOX5 3744/4885CYP2A6 264/4885MAOA 284/4885

“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.