SCHEMBL5032882

SCHEMBL5032882

COC(=O)c1ccccc1-c1c(C(=O)O)oc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 4/20 0.48
ABCB1 P08183 1/20 0.47
USP2 O75604 1/20 0.45
CFTR P13569 1/20 0.45
PAX8 Q06710 1/20 0.45
ATM Q13315 1/20 0.45
GOPC Q9HD26 1/20 0.45
HSD17B10 Q99714 2/20 0.45
TOP2A P11388 2/20 0.44
SLC6A3 Q01959 4/20 0.43
SLC6A4 P31645 3/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
EDNRA P25101 1/20 0.42
HPGD P15428 2/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL5031388 0.83 EDNRA (0.54) KDM4EALDH1A1HSD17B10MAPTTHRB
SCHEMBL5120115 0.80 CYP3A4 (0.52) KDM4ESMN1; SMN2ALDH1A1HSD17B10MAPT
SCHEMBL9219884 0.79 MCL1 (0.46) KDM4ESMN1; SMN2ALDH1A1USP2HSD17B10
SCHEMBL19195619 0.76 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1ATMHSD17B10
SCHEMBL9220776 0.76 KMT2A (0.46) KDM4ESMN1; SMN2ALDH1A1USP2MAPT
SCHEMBL4554338 0.75 ALOX5 (0.50) KDM4ESMN1; SMN2ALDH1A1TOP2ASLC6A3
SCHEMBL8500618 0.75 SLC6A3 (0.54) KDM4ESMN1; SMN2ALDH1A1CFTRATM
SCHEMBL12433181 0.74 SLC6A3 (0.51) KDM4ESMN1; SMN2ALDH1A1ATMHSD17B10
SCHEMBL8498204 0.73 MEN1 (0.47) KDM4ESMN1; SMN2ALDH1A1CFTRATM
SCHEMBL5710871 0.73 WDR5 (0.63) KDM4ESMN1; SMN2ALDH1A1SLC6A3SLC6A4

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 KDM4E 2473/4885SMN1; SMN2 2611/4885ALDH1A1 3003/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT KDM4E 2473/4885SMN1; SMN2 2611/4885ALDH1A1 3003/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT KDM4E 2473/4885SMN1; SMN2 2611/4885ALDH1A1 3003/4885

“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.