SCHEMBL5034728

SCHEMBL5034728

N#Cc1ccc2cc(CCCc3cc4ccc(C#N)cc4o3)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.44
CYP2A6 P11509 1/20 0.43
HRH3 Q9Y5N1 14/20 0.43
PGR P06401 3/20 0.40
KCNH2 Q12809 1/20 0.38
MIF P14174 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL5028042 0.97 CYP2A6 (0.43) HTR2BCYP2A6HRH3PGRKCNH2
SCHEMBL5033190 0.95 HRH3 (0.42) HTR2BCYP2A6HRH3PGRKCNH2
SCHEMBL5028054 0.93 CYP2A6 (0.46) CYP2A6HRH3PGRKCNH2MIF
SCHEMBL5032790 0.86 HRH3 (0.55) HTR2BCYP2A6HRH3KCNH2
SCHEMBL5034778 0.86 CYP2A6 (0.46) CYP2A6HRH3PGRMIFCA9
SCHEMBL2096423 0.83 CYP2A6 (0.43) CYP2A6HRH3PGRMIFCA9
SCHEMBL5034855 0.83 HRH3 (0.55) CYP2A6HRH3KCNH2
SCHEMBL7494225 0.83 CYP2A6 (0.43) CYP2A6HRH3PGRMIFCA9
SCHEMBL5030411 0.81 HRH3 (0.54) CYP2A6HRH3KCNH2
SCHEMBL5032985 0.79 HRH3 (0.58) CYP2A6HRH3KCNH2

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 HTR2B 3182/4885CYP2A6 4517/4885HRH3 977/4885
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HTR2B 3182/4885CYP2A6 4517/4885HRH3 977/4885
US-20080221191-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT HTR2B 3182/4885CYP2A6 4517/4885HRH3 977/4885

“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.