SCHEMBL3560978

SCHEMBL3560978

CCCCNC(=O)C(c1ccc(N(C)C)cc1)n1c(-c2cccc(OC)c2OC)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
MAPT P10636 6/20 0.39
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
ALPG P10696 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
EPHX2 P34913 1/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL3566327 0.92 HCRTR1 (0.43) HCRTR1HCRTR2SMN1; SMN2ALDH1A1TSHR
SCHEMBL3564525 0.91 SMN1; SMN2 (0.40) HCRTR1HCRTR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL3573371 0.87 HCRTR1 (0.46) HCRTR1HCRTR2MAPTTP53SMN1; SMN2
SCHEMBL3564261 0.85 MEN1 (0.42) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL3571809 0.85 RORC (0.43) MAPTTP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL29880813 0.85 RORC (0.43) MAPTTP53SMN1; SMN2ALDH1A1TSHR
SCHEMBL3566382 0.84 MEN1 (0.41) HCRTR1HCRTR2MAPTSMN1; SMN2ALDH1A1
SCHEMBL3567847 0.79 IRAK4 (0.42) HCRTR1HCRTR2SMN1; SMN2ALDH1A1TSHR
SCHEMBL3564893 0.79 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL28819508 0.78 HCRTR1 (0.37) HCRTR1HCRTR2MAPTTP53SMN1; 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 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 HCRTR1 1197/4885HCRTR2 1070/4885MAPT 3520/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 HCRTR1 1181/4885HCRTR2 1034/4885MAPT 3775/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R HCRTR1 1157/4885HCRTR2 1845/4885MAPT 4740/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 HCRTR1 1197/4885HCRTR2 1070/4885MAPT 3520/4885

“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.