SCHEMBL5034774

SCHEMBL5034774

c1cc(C2=NCCN2)ccc1OCCCCCCOc1ccc(-c2cc3cc(C4=NCCN4)ccc3o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 3/20 0.53
PRMT3 O60678 1/20 0.53
EHMT2 Q96KQ7 1/20 0.53
PRMT6 Q96LA8 1/20 0.53
PRMT8 Q9NR22 1/20 0.53
HRH3 Q9Y5N1 1/20 0.50
NISCH Q9Y2I1 5/20 0.48
TOP2A P11388 2/20 0.48
TOP2B Q02880 2/20 0.48
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP2D6 P10635 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL5032931 1.00 PRMT1 (0.53) PRMT1PRMT3EHMT2PRMT6PRMT8
Hydrochloric Acid SCHEMBL5028066 0.99 PRMT1 (0.53) PRMT1PRMT3EHMT2PRMT6PRMT8
Hydrochloric Acid SCHEMBL5030441 0.99 PRMT1 (0.53) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL5027964 0.99 PRMT1 (0.54) PRMT1PRMT3EHMT2PRMT6PRMT8
Hydrochloric Acid SCHEMBL5031447 0.98 PRMT1 (0.53) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL5032914 0.97 PRMT1 (0.54) PRMT1PRMT3EHMT2PRMT6PRMT8
Hydrochloric Acid SCHEMBL5028094 0.96 PRMT1 (0.53) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL5033119 0.92 PRMT1 (0.48) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL5030526 0.92 PRMT1 (0.48) PRMT1PRMT3EHMT2PRMT6PRMT8
SCHEMBL5034681 0.91 PRMT1 (0.54) PRMT1PRMT3EHMT2PRMT6PRMT8

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 12 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 claimed
US-7417158-B2 Mycobacterium tuberculosis infection; protozoan pathogens; fungal pathogens THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-08-26 US claimed
EP-1689732-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS The University of North Carolina at Chapel Hill (US) 2006-08-16 EP claimed
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents TIDWELL RICHARD R (US) 2005-09-08 US claimed
WO-2005055935-A2 CATIONIC SUBSTITUTED BENZOFURANS AS ANTIMICROBIAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-06-23 WO claimed
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 PRMT1 1394/4885PRMT3 1668/4885EHMT2 2835/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT PRMT1 1394/4885PRMT3 1668/4885EHMT2 2835/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT PRMT1 1394/4885PRMT3 1668/4885EHMT2 2835/4885

“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.