SCHEMBL3567847

SCHEMBL3567847

CCCCNC(=O)C(c1ccc(OC)cc1)n1c(-c2ccc(OC)cc2OC)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CNR2 P34972 1/20 0.40
MMP2 P08253 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
LMNA P02545 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 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
SCHEMBL3576145 0.97 HCRTR1 (0.43) IRAK4KDM4EMEN1POLBKMT2A
SCHEMBL3569680 0.95 CYP1A2 (0.40) IRAK4KDM4EMEN1POLBKMT2A
SCHEMBL3573371 0.94 HCRTR1 (0.46) IRAK4KDM4EMEN1POLBKMT2A
SCHEMBL3570731 0.89 RORC (0.48) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL29881284 0.89 RORC (0.48) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL3569013 0.88 C5AR1 (0.43) IRAK4KDM4EMEN1POLBKMT2A
SCHEMBL3564525 0.88 SMN1; SMN2 (0.40) IRAK4KDM4EMEN1POLBKMT2A
SCHEMBL28819594 0.83 TP53 (0.39) IRAK4KDM4EMEN1POLBKMT2A
SCHEMBL3566327 0.82 HCRTR1 (0.43) MEN1KMT2ATSHRALDH1A1HCRTR1
SCHEMBL3567263 0.80 NR1H4 (0.48) POLBADORA3

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 IRAK4 833/4885KDM4E 4172/4885MEN1 4283/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 IRAK4 866/4885KDM4E 4255/4885MEN1 4150/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R IRAK4 172/4885KDM4E 2856/4885MEN1 3627/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 IRAK4 833/4885KDM4E 4172/4885MEN1 4283/4885

“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.