SCHEMBL3579207

SCHEMBL3579207

O=C(NCc1ccccc1)C(CCc1ccccc1)n1c(-c2cccc3ccccc23)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MMP8 P22894 1/20 0.41
ASAH1 Q13510 2/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
GSK3B P49841 2/20 0.40
METAP2 P50579 2/20 0.39
METAP1 P53582 2/20 0.39
CASR P41180 1/20 0.39

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
SCHEMBL3569281 0.85 LMNA (0.45) LMNATSHRHTTMMP8ASAH1
Hydrochloric Acid SCHEMBL3564169 0.81 NR1H4 (0.48) LMNAALDH1A1KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL3564167 0.80 NR1H4 (0.47) LMNAALDH1A1KDM4EKMT2AMEN1
SCHEMBL3560823 0.80 NR1H4 (0.51) LMNATSHRHTTASAH1ALDH1A1
SCHEMBL3562455 0.79 DRD2 (0.50) LMNATSHRHTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3565742 0.79 LMNA (0.45) LMNATSHRHTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3565739 0.78 LMNA (0.45) LMNATSHRHTTALDH1A1KDM4E
SCHEMBL29880962 0.73 KMT2A (0.41) LMNAHTTASAH1ALDH1A1KDM4E
SCHEMBL3565825 0.73 KMT2A (0.41) LMNAHTTASAH1ALDH1A1KDM4E
SCHEMBL3566663 0.71 NR1H4 (0.49) LMNATSHRHTTALDH1A1KDM4E

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 15 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
CN-101479249-A Benzimidazole derivatives, method for the production thereof, their use as FXR agonists and pharmaceutical preparations containing them HOFFMANN LA ROCHE (CH) 2009-07-08 CN 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
CN-101479249-A Benzimidazole derivatives, method for the production thereof, their use as FXR agonists and pharmaceutical preparations containing them HOFFMANN LA ROCHE (CH) 2009-07-08 CN 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 LMNA 3746/4885TSHR 2137/4885HTT 4319/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 LMNA 3711/4885TSHR 2004/4885HTT 4366/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R LMNA 4202/4885TSHR 106/4885HTT 4739/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 LMNA 3746/4885TSHR 2137/4885HTT 4319/4885

“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.