SCHEMBL3138926

SCHEMBL3138926

COC(=O)c1ccc2nc(COc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)oc2c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.54
EPAS1 Q99814 2/20 0.54
MDH1 P40925 2/20 0.54
MDH2 P40926 2/20 0.54
EP300 Q09472 1/20 0.54
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3148127 0.93 HIF1A (0.54) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL3139346 0.89 HIF1A (0.51) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL3149012 0.82 HIF1A (0.51) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL3143193 0.81 HIF1A (0.52) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL3147956 0.80 PDE10A (0.45) HIF1AEPAS1MDH1MDH2EP300
SCHEMBL3145104 0.79 NPC1 (0.51) MEN1RAB9AKMT2A
SCHEMBL7541707 0.78 MAPT (0.52) RAB9A
SCHEMBL7545090 0.78 MAPT (0.52) MEN1RAB9AKMT2A
SCHEMBL4303833 0.77 CASP2 (0.55) HIF1AEPAS1KMT2A
SCHEMBL3152851 0.77 HIF1A (0.54) HIF1AEPAS1MDH1MDH2EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304448-B2 Method for the treatment of metabolic disorder containing benzazole derivatives as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-11-06 US claimed
US-20100076039-A1 COMPOSITION FOR THE PREVENTION AND TREATMENT OF METABOLIC DISORDER CONTAINING BENZAZOLE DERIVATIVES AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY 2010-03-25 US claimed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 US claimed
US-8394799-B2 Compounds that inhibit HIF-1 activity, the method for preparation thereof and the pharmaceutical composition containing them as an effective component KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2013-03-12 US disclosed
US-8304448-B2 Method for the treatment of metabolic disorder containing benzazole derivatives as an active ingredient KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-11-06 US disclosed
US-20100076039-A1 COMPOSITION FOR THE PREVENTION AND TREATMENT OF METABOLIC DISORDER CONTAINING BENZAZOLE DERIVATIVES AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY 2010-03-25 US disclosed
US-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-12-10 US disclosed
WO-2008004798-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-01-10 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-20090306078-A1 COMPOUNDS THAT INHIBIT HIF-1 ACTIVITY, THE METHOD FOR PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITION CONTAINING THEM AS AN EFFECTIVE COMPONENT HIF1AN, HIF1A, VHL HIF1A 2/4885EPAS1 14/4885MDH1 1631/4885
US-20100076039-A1 COMPOSITION FOR THE PREVENTION AND TREATMENT OF METABOLIC DISORDER CONTAINING BENZAZOLE DERIVATIVES AS AN ACTIVE INGREDIENT DGAT2, DGAT1, ACAT1 HIF1A 4095/4885EPAS1 3165/4885MDH1 385/4885

“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.