SCHEMBL5027954

SCHEMBL5027954

COc1cc(C2=NCCN2)cc2cc(-c3ccc(C4=NCCN4)cc3)oc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.56
▸ TOP2A P11388 5/20 0.54
▸ TOP2B Q02880 5/20 0.54
▸ NISCH Q9Y2I1 5/20 0.53
▸ ESR1 P03372 1/20 0.50
▸ ESR2 Q92731 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ PTGIR P43119 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ S1PR1 P21453 1/20 0.44

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
SCHEMBL6457858 0.89 NISCH (0.54) MAOBNISCHALDH1A1CYP1A2HPGD
SCHEMBL549234 0.81 TOP2A (0.57) MAOBTOP2ATOP2BNISCHALDH1A1
Hydrochloric Acid SCHEMBL8202584 0.78 MAOB (0.41) MAOBNISCHALDH1A1CYP1A2HPGD
SCHEMBL5032907 0.76 PRMT1 (0.66) MAOBTOP2ATOP2BNISCHALDH1A1
SCHEMBL9575182 0.75 MAOB (0.69) MAOBNISCHKDM4EPTGIR
SCHEMBL5028113 0.73 PRMT1 (0.68) MAOBTOP2ATOP2BNISCHALDH1A1
SCHEMBL14089880 0.73 NISCH (0.79) TOP2ATOP2BNISCHALDH1A1CYP1A2
SCHEMBL8200480 0.73 NISCH (0.44) MAOBNISCHALDH1A1CYP1A2HPGD
SCHEMBL13175784 0.73 NISCH (0.60) MAOBNISCHALDH1A1HSD17B10KDM4E
SCHEMBL8195760 0.72 NISCH (0.78) MAOBTOP2ATOP2BNISCHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689732-A4 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS UNIV NORTH CAROLINA (US) 2008-10-22 — — EP claimed
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-11 — — US claimed
EP-1689732-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS The University of North Carolina at Chapel Hill (US) 2006-08-16 — — EP claimed
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents TIDWELL RICHARD R (US) 2005-09-08 — — US claimed
WO-2005055935-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-06-23 — — WO claimed
EP-1689732-A4 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS UNIV NORTH CAROLINA (US) 2008-10-22 — — EP disclosed
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-11 — — US disclosed
US-7417158-B2 Mycobacterium tuberculosis infection; protozoan pathogens; fungal pathogens THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-08-26 — — US disclosed
US-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-15 — — US disclosed
EP-1689732-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS The University of North Carolina at Chapel Hill (US) 2006-08-16 — — EP disclosed
WO-2005055935-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-06-23 — — 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-20080114047-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT MAOB 2348/4885TOP2A 479/4885TOP2B 480/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT MAOB 2348/4885TOP2A 479/4885TOP2B 480/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT MAOB 2348/4885TOP2A 479/4885TOP2B 480/4885

“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.

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