SCHEMBL5030427

SCHEMBL5030427

COc1c(O)ccc(C=O)c1I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 1/20 0.58
ERN1 O75460 7/20 0.49
TRIM24 O15164 3/20 0.49
TRIM33 Q9UPN9 3/20 0.49
TYR P14679 2/20 0.49
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41
HPGD P15428 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38

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
SCHEMBL1003414 0.82 CA1 (0.69) CA1CA2ERN1TRIM24TRIM33
SCHEMBL29459741 0.82 CA1 (0.69) CA1CA2ERN1TRIM24TRIM33
SCHEMBL22991664 0.81 CA1 (0.41) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1005010 0.81 CA1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL29459651 0.81 CA1 (0.61) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1134612 0.79 ALDH1A1 (0.47) CA1CA2ERN1MCL1ALDH1A1
SCHEMBL7939012 0.79 CA1 (0.59) CA1CA2ERN1TRIM24TRIM33
SCHEMBL1361643 0.79 CA1 (0.59) CA1CA2ERN1TRIM24TRIM33
SCHEMBL10959550 0.78 CA1 (0.58) CA1CA2ERN1TRIM24TRIM33
SCHEMBL31269431 0.78 CA1 (0.58) CA1CA2ERN1TRIM24TRIM33

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 CA1 3073/4885CA2 1551/4885ERN1 3022/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT CA1 3073/4885CA2 1551/4885ERN1 3022/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT CA1 3073/4885CA2 1551/4885ERN1 3022/4885

“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.