SCHEMBL5028113

SCHEMBL5028113

c1cc(-c2cc3ccc(C4=NCCN4)cc3o2)ccc1C1=NCCN1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 5/20 0.68
TOP2A P11388 5/20 0.62
TOP2B Q02880 5/20 0.62
NISCH Q9Y2I1 4/20 0.58
ALDH1A1 P00352 2/20 0.58
CYP1A2 P05177 2/20 0.58
HPGD P15428 2/20 0.58
HSD17B10 Q99714 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ADRA2A P08913 1/20 0.58
CYP2D6 P10635 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
PRMT3 O60678 1/20 0.56
EHMT2 Q96KQ7 1/20 0.56
PRMT6 Q96LA8 1/20 0.56

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
SCHEMBL5030461 0.90 PRMT1 (0.64) PRMT1TOP2ATOP2BNISCHALDH1A1
SCHEMBL5032907 0.88 PRMT1 (0.66) PRMT1TOP2ATOP2BNISCHALDH1A1
SCHEMBL5031428 0.88 PRMT1 (0.55) PRMT1TOP2ATOP2BNISCHALDH1A1
SCHEMBL5033104 0.88 PRMT1 (0.55) PRMT1TOP2ATOP2BNISCHALDH1A1
SCHEMBL8195760 0.87 NISCH (0.78) PRMT1TOP2ATOP2BNISCHALDH1A1
SCHEMBL5034681 0.87 PRMT1 (0.54) PRMT1TOP2ATOP2BNISCHALDH1A1
Hydrochloric Acid SCHEMBL5030500 0.87 PRMT1 (0.54) PRMT1TOP2ATOP2BNISCHALDH1A1
Hydrochloric Acid SCHEMBL5032971 0.87 PRMT1 (0.54) PRMT1TOP2ATOP2BNISCHALDH1A1
SCHEMBL5031431 0.87 PRMT1 (0.54) PRMT1TOP2ATOP2BNISCHALDH1A1
SCHEMBL14854501 0.86 PRMT1 (0.74) PRMT1TOP2ATOP2BNISCHALDH1A1

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 9 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-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 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
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
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents TIDWELL RICHARD R (US) 2005-09-08 US 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 1394/4885TOP2A 479/4885TOP2B 480/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT PRMT1 1394/4885TOP2A 479/4885TOP2B 480/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT PRMT1 1394/4885TOP2A 479/4885TOP2B 480/4885

“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.