SCHEMBL3569233

SCHEMBL3569233

COC(=O)c1ccc(-c2nc3ccccc3n2C(C(=O)NC(C)C)c2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.52
KDM4E B2RXH2 4/20 0.48
POLB P06746 1/20 0.48
DRD2 P14416 1/20 0.46
TBXA2R P21731 1/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 6/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HPGD P15428 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
ATM Q13315 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
CNR1 P21554 1/20 0.43
LMNA P02545 3/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL29880772 1.00 CNR2 (0.52) CNR2KDM4EPOLBDRD2TBXA2R
SCHEMBL3567572 0.93 CNR2 (0.52) CNR2KDM4EPOLBMAPTSMN1; SMN2
SCHEMBL3559717 0.92 DRD2 (0.49) CNR2KDM4EPOLBDRD2TBXA2R
SCHEMBL29880897 0.92 DRD2 (0.49) CNR2KDM4EPOLBDRD2TBXA2R
SCHEMBL3568015 0.83 DRD2 (0.46) CNR2KDM4EPOLBDRD2TBXA2R
SCHEMBL29881124 0.83 DRD2 (0.46) CNR2KDM4EPOLBDRD2TBXA2R
SCHEMBL3572909 0.77 DRD2 (0.48) CNR2KDM4EDRD2TBXA2RMAPT
SCHEMBL6441068 0.75 CNR2 (0.62) CNR2KDM4EPOLBDRD2TBXA2R
SCHEMBL17961046 0.74 CNR2 (0.63) CNR2KDM4EPOLBDRD2TBXA2R
SCHEMBL12387034 0.73 KDM4E (0.66) CNR2KDM4EPOLBMAPTSMN1; SMN2

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
US-7645785-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US claimed
US-20080021027-A1 Novel benzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 US claimed
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2018-09-11 US disclosed
US-20180169115-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-06-21 US disclosed
US-7645785-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
US-20080021027-A1 Novel benzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 US disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 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-20180169115-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, FXR2, FXR1 CNR2 424/4885KDM4E 4172/4885POLB 3560/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R CNR2 761/4885KDM4E 2856/4885POLB 4305/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 CNR2 424/4885KDM4E 4172/4885POLB 3560/4885

“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.