SCHEMBL3148681

SCHEMBL3148681

COC(=O)c1ccc2[nH]c(COc3ccc(Cl)cc3Cl)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
S1PR4 O95977 1/20 0.50
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADRB2 P07550 1/20 0.49
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BRS3 P32247 1/20 0.45
RHEB Q15382 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 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
SCHEMBL3152589 0.88 RAB9A (0.57) MRGPRX4NPC1RAB9AMAPTADRB2
SCHEMBL3143457 0.87 ALDH1A1 (0.53) MRGPRX4NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7682821 0.86 RAB9A (0.57) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL14765644 0.83 NPC1 (0.50) MRGPRX4NPC1RAB9AS1PR4MAPT
SCHEMBL3153713 0.79 RAB9A (0.57) MRGPRX4NPC1RAB9AMAPTMAPK1
SCHEMBL4565565 0.79 MAPT (0.48) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL13576960 0.79 POLB (0.58) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL6093891 0.78 SMN1; SMN2 (0.57) NPC1RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL7689491 0.78 RAB9A (0.60) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL7682812 0.77 RAB9A (0.58) NPC1RAB9AMAPTMAPK1SMN1; 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 12 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
WO-2008039008-A1 COMPOSITION FOR THE PREVENTION AND TREATMENT OF METABOLIC DISORDER CONTAINING BENZAZOLE DERIVATIVES AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-04-03 WO claimed
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 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-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
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 MRGPRX4 3245/4885NPC1 1221/4885RAB9A 884/4885
US-20100076039-A1 COMPOSITION FOR THE PREVENTION AND TREATMENT OF METABOLIC DISORDER CONTAINING BENZAZOLE DERIVATIVES AS AN ACTIVE INGREDIENT DGAT2, DGAT1, ACAT1 MRGPRX4 2225/4885NPC1 412/4885RAB9A 2106/4885

“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.