SCHEMBL5030438

SCHEMBL5030438

O=Cc1cccc(OCO)c1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.45
ERN1 O75460 3/20 0.43
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
SRC P12931 3/20 0.40
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TRIM24 O15164 1/20 0.35

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
SCHEMBL8373570 0.82 ALDH1A1 (0.58) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL4354861 0.81 ALDH1A1 (0.73) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL7582004 0.79 ALDH1A1 (0.55) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL6710689 0.78 CCNB2 (0.58) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL8678447 0.76 PTGDR2 (0.50) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL13280363 0.76 ERN1 (0.61) ALDH1A1HPGDHTTSMN1; SMN2ERN1
SCHEMBL6240409 0.75 ALDH1A1 (0.53) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL5030421 0.75 CA1 (0.43) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL8676099 0.69 ERN1 (0.61) ALDH1A1ERN1TLR2TLR1TLR6
SCHEMBL450781 0.68 ALDH1A1 (0.77) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2

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 ALDH1A1 3003/4885HPGD 3997/4885HTT 2687/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT ALDH1A1 3003/4885HPGD 3997/4885HTT 2687/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT ALDH1A1 3003/4885HPGD 3997/4885HTT 2687/4885

“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.