SCHEMBL3567572

SCHEMBL3567572

COc1ccc(C(C(=O)NC(C)C)n2c(-c3ccc(C(C)=O)cc3)nc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.52
KDM4E B2RXH2 7/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.46
MAPT P10636 6/20 0.46
TP53 P04637 4/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 9/20 0.45
HPGD P15428 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
NR1H4 Q96RI1 1/20 0.45
ATM Q13315 1/20 0.44
HTT P42858 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HIF1A Q16665 1/20 0.44
CNR1 P21554 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TSHR P16473 3/20 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
SCHEMBL3569233 0.93 CNR2 (0.52) CNR2KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL29880772 0.93 CNR2 (0.52) CNR2KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL29880897 0.84 DRD2 (0.49) CNR2KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL3559717 0.84 DRD2 (0.49) CNR2KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL29881124 0.76 DRD2 (0.46) CNR2KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL3568015 0.76 DRD2 (0.46) CNR2KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL3572003 0.75 NR1H4 (0.46) KDM4ESMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL12387034 0.73 KDM4E (0.66) CNR2KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL3563980 0.72 NR1H4 (0.45) MAPTNR1H4ATMMEN1KMT2A
SCHEMBL29881271 0.72 NR1H4 (0.45) MAPTNR1H4ATMMEN1KMT2A

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 13 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
EP-3043865-B1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION INST NAT SANTE RECH MED (FR) 2020-11-04 EP disclosed
EP-3711762-A1 A FARNESOID X RECEPTOR AGONSITS FORUSE AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHRONIC HEPATITIS B VIRUS INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-09-23 EP 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-9895380-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) 2018-02-20 US disclosed
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-08-04 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 (4 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-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 CNR2 344/4885KDM4E 4255/4885POLB 3408/4885
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.