SCHEMBL3571809

SCHEMBL3571809

CCCCNC(=O)C(c1ccc2c(c1)OCO2)n1c(-c2cccc(OC)c2OC)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
USP2 O75604 1/20 0.41
ALPG P10696 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
EDNRA P25101 3/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL29880813 1.00 RORC (0.43) RORCUSP2ALPGMEN1KMT2A
SCHEMBL3570731 0.89 RORC (0.48) RORCUSP2ALPGMEN1KMT2A
SCHEMBL29881284 0.89 RORC (0.48) RORCUSP2ALPGMEN1KMT2A
SCHEMBL3566327 0.87 HCRTR1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL3564525 0.87 SMN1; SMN2 (0.40) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3560978 0.85 HCRTR1 (0.45) ALPGMEN1KMT2AHPGDHTT
SCHEMBL3564261 0.83 MEN1 (0.42) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3567092 0.82 USP2 (0.45) USP2ALPGMEN1KMT2AEDNRA
SCHEMBL3566382 0.81 MEN1 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28819508 0.77 HCRTR1 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1GAA

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 11 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
US-20080021027-A1 Novel benzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 US 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 RORC 18/4885USP2 3781/4885ALPG 2002/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 RORC 17/4885USP2 3752/4885ALPG 1815/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R RORC 289/4885USP2 4779/4885ALPG 3945/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 RORC 18/4885USP2 3781/4885ALPG 2002/4885

“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.