SCHEMBL540960

SCHEMBL540960

c1ccc(-n2c(-c3cccnc3)nc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.63
ESR1 P03372 1/20 0.60
ESR2 Q92731 1/20 0.60
CYP11B2 P19099 1/20 0.58
MAPT P10636 5/20 0.55
G6PD P11413 2/20 0.54
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
AKT1 P31749 1/20 0.51
RAD51 Q06609 1/20 0.50
GSR P00390 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MDM2 Q00987 1/20 0.49
LCK P06239 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL12232104 0.92 ESR1 (0.55) AOC3ESR1ESR2CYP11B2MAPT
SCHEMBL12232106 0.92 ESR1 (0.55) AOC3ESR1ESR2CYP11B2MAPT
SCHEMBL12232069 0.92 ESR1 (0.55) AOC3ESR1ESR2CYP11B2MAPT
SCHEMBL22522239 0.90 AOC3 (0.60) AOC3ESR1ESR2CYP11B2MAPT
SCHEMBL22507286 0.90 AOC3 (0.60) AOC3ESR1ESR2CYP11B2MAPT
SCHEMBL20776067 0.89 ESR1 (0.59) AOC3ESR1ESR2CYP11B2MAPT
SCHEMBL12232067 0.89 ESR1 (0.52) AOC3ESR1ESR2CYP11B2MAPT
SCHEMBL13067552 0.89 ESR1 (0.56) AOC3ESR1ESR2CYP11B2MAPT
SCHEMBL22522316 0.89 AOC3 (0.61) AOC3ESR1ESR2CYP11B2MAPT
SCHEMBL24811913 0.87 ESR1 (0.53) AOC3ESR1ESR2CYP11B2MAPT

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735586-B2 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI (FR) 2014-05-27 US claimed
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US claimed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP claimed
EP-2173721-B1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-28 EP claimed
US-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-10-14 US claimed
EP-2173721-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2010-04-14 EP claimed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US claimed
EP-2044033-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2009-04-08 EP claimed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO claimed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO claimed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP claimed
US-20230292595-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-09-14 US disclosed
US-20230292595-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-09-14 US disclosed
US-20230270004-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-08-24 US disclosed
US-20230270004-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-08-24 US disclosed
WO-2009000413-A1 A REGIOSELECTIVE COPPER CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 WO disclosed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO disclosed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO disclosed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP disclosed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP 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 (2 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-20100261909-A1 Regioselective copper catalyzed synthesis of benzimidazoles and azabenzimidazoles AZI2, NISCH, UQCRB AOC3 5/4885ESR1 1386/4885ESR2 2481/4885
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 AOC3 130/4885ESR1 4637/4885ESR2 4794/4885

“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.