SCHEMBL5028068

SCHEMBL5028068

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.44
MCL1 Q07820 5/20 0.41
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
GPR35 Q9HC97 3/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MTHFD2 P13995 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TTR P02766 1/20 0.33
ADRB2 P07550 2/20 0.32
NMT2 O60551 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL5091078 0.79 GPR35 (0.38) EDNRAMCL1GPR35NPC1MAPT
SCHEMBL3612485 0.76 EDNRA (0.66) EDNRAMCL1MMP2MMP13GPR35
SCHEMBL28849644 0.73 EDNRA (0.50) EDNRAMCL1GPR35NPC1MAPT
SCHEMBL5028070 0.71 EDNRA (0.43) EDNRAMCL1NPC1MAPTRAB9A
SCHEMBL15022380 0.71 EDNRA (0.59) EDNRAMCL1NPC1MAPTRAB9A
SCHEMBL5028041 0.68 MCL1 (0.47) EDNRAMCL1MMP2MMP13NPC1
SCHEMBL27804367 0.66 KMT2A (0.45) EDNRAMCL1MAPTRAB9ATDP1
SCHEMBL13456418 0.66 EDNRA (0.42) EDNRAMCL1NPC1MAPTRAB9A
SCHEMBL17424589 0.66 KDM4E (0.58) GPR35MAPTLMNATDP1KDM4E
SCHEMBL5031426 0.65 EDNRA (0.42) EDNRAMCL1NPC1MAPTRAB9A

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 97/4885MMP2 3536/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT EDNRA 4202/4885MCL1 97/4885MMP2 3536/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT EDNRA 4202/4885MCL1 97/4885MMP2 3536/4885

“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.