SCHEMBL5030493

SCHEMBL5030493

N=C(N)c1ccc2oc(CCCCc3cc4cc(C(=N)N)ccc4o3)cc2c1

nearest known ligand 0.88

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.88
▸ F10 P00742 3/20 0.88
▸ PRMT1 Q99873 5/20 0.53
▸ ITGB3 P05106 3/20 0.47
▸ ITGA2B P08514 3/20 0.47
▸ TPSAB1 Q15661 1/20 0.47
▸ TPSD1 Q9BZJ3 1/20 0.47
▸ TPSG1 Q9NRR2 1/20 0.47

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
Hydrochloric Acid SCHEMBL5034833 0.98 F2 (0.85) F2F10PRMT1ITGB3ITGA2B
SCHEMBL5032861 0.98 F2 (0.85) F2F10PRMT1ITGB3ITGA2B
SCHEMBL7979967 0.98 F2 (0.85) F2F10PRMT1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL5031493 0.97 F2 (0.82) F2F10PRMT1ITGB3ITGA2B
SCHEMBL5028071 0.97 F2 (0.88) F2F10PRMT1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL5034703 0.95 F2 (0.85) F2F10PRMT1ITGB3ITGA2B
SCHEMBL237460 0.93 F2 (1.00) F2F10PRMT1TPSAB1TPSD1
Hydrochloric Acid SCHEMBL5028046 0.92 F2 (0.97) F2F10PRMT1TPSAB1TPSD1
SCHEMBL7978262 0.92 F2 (0.74) F2F10PRMT1ITGB3ITGA2B
SCHEMBL18296495 0.87 F10 (0.72) F2F10PRMT1ITGB3ITGA2B

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 14 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-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 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
WO-2001072742-A1 BISAMIDINO COMPOUNDS AS NHE-3 INHIBITORS MERCK PATENT GMBH (US) 2001-10-04 — — 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
WO-2001072742-A1 BISAMIDINO COMPOUNDS AS NHE-3 INHIBITORS MERCK PATENT GMBH (US) 2001-10-04 — — 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 F2 2791/4885F10 2781/4885PRMT1 1394/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT F2 2791/4885F10 2781/4885PRMT1 1394/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT F2 2791/4885F10 2781/4885PRMT1 1394/4885

“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.

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