SCHEMBL5030588

SCHEMBL5030588

N#Cc1ccc2oc(-c3cccc(O)c3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
GLA P06280 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC6 Q9UBN7 1/20 0.46
TNKS O95271 2/20 0.46
PARP1 P09874 2/20 0.46
TNKS2 Q9H2K2 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 1/20 0.46
APP P05067 2/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45

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
SCHEMBL5034697 0.89 HDAC6 (0.55) CYP3A4ALDH1A1MAPTHPGDTP53
SCHEMBL3537582 0.83 MAOB (0.58) ESR1ESR2TNKSCHRM2CHRM4
SCHEMBL5030494 0.80 MAOB (0.59) CYP3A4ALDH1A1MAPTHPGDTP53
SCHEMBL28302252 0.77 MAOB (0.65) ESR1ESR2CYP3A4ALDH1A1MAPT
SCHEMBL5030498 0.76 BCHE (0.47) CYP2C9CHRM2CHRM4CHRM5CHRM1
SCHEMBL5028084 0.76 BCHE (0.45) CYP2C9CHRM2CHRM4CHRM5CHRM1
SCHEMBL5030434 0.75 BCHE (0.49) MAOAMAOB
SCHEMBL5030482 0.75 BCHE (0.49) MAOAMAOB
SCHEMBL11839904 0.75 MAOB (0.56) ESR1ESR2ALDH1A1TNKSAPP
SCHEMBL16720144 0.74 HDAC6 (0.48) ESR1ESR2CYP3A4ALDH1A1MAPT

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 ESR1 4263/4885ESR2 4292/4885CYP3A4 2119/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT ESR1 4263/4885ESR2 4292/4885CYP3A4 2119/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT ESR1 4263/4885ESR2 4292/4885CYP3A4 2119/4885

“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.