SCHEMBL5028070

SCHEMBL5028070

Cc1cccc2oc(C(=O)O)c(CCC=O)c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.43
MCL1 Q07820 6/20 0.42
BCL2 P10415 1/20 0.40
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
TSHR P16473 1/20 0.36
APEX1 P27695 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TTR P02766 1/20 0.34
GPR52 Q9Y2T5 1/20 0.33
MTHFD2 P13995 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL5028041 0.83 MCL1 (0.47) EDNRAMCL1BCL2BCL2L1BAD
SCHEMBL5031426 0.80 EDNRA (0.42) EDNRAMCL1BCL2BCL2L1BAD
SCHEMBL5091079 0.79 MCL1 (0.43) EDNRAMCL1BCL2BCL2L1BAD
SCHEMBL3612485 0.74 EDNRA (0.66) EDNRAMCL1NPC1RAB9AMAPT
SCHEMBL5028068 0.71 EDNRA (0.44) EDNRAMCL1NPC1RAB9AMAPT
SCHEMBL28849644 0.71 EDNRA (0.50) EDNRAMCL1MAPK1NPC1RAB9A
SCHEMBL29953240 0.71 ALDH1A1 (0.38) TSHRGPR52
SCHEMBL15022380 0.69 EDNRA (0.59) EDNRAMCL1NPC1RAB9AMAPT
SCHEMBL9754478 0.69 EDNRA (0.42) EDNRAMCL1BCL2BCL2L1BAD
SCHEMBL11732540 0.67 KDM4E (0.45) EDNRAMAPTMEN1KMT2ATTR

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 7 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 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
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents TIDWELL RICHARD R (US) 2005-09-08 US 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 EDNRA 4202/4885MCL1 97/4885BCL2 235/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT EDNRA 4202/4885MCL1 97/4885BCL2 235/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT EDNRA 4202/4885MCL1 97/4885BCL2 235/4885

“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.