SCHEMBL3573371

SCHEMBL3573371

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
BRD4 O60885 1/20 0.37
MMP2 P08253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CRHR1 P34998 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL3567847 0.94 IRAK4 (0.42) HCRTR1HCRTR2LMNAADORA3IRAK4
SCHEMBL3576145 0.92 HCRTR1 (0.43) HCRTR1HCRTR2MAPTLMNATP53
SCHEMBL3569680 0.91 CYP1A2 (0.40) HCRTR1HCRTR2MAPTLMNATP53
SCHEMBL3560978 0.87 HCRTR1 (0.45) HCRTR1HCRTR2MAPTLMNATP53
SCHEMBL3570731 0.85 RORC (0.48) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL29881284 0.85 RORC (0.48) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL3569013 0.84 C5AR1 (0.43) ADORA3IRAK4ALDH1A1TSHRMEN1
SCHEMBL3564525 0.82 SMN1; SMN2 (0.40) HCRTR1HCRTR2MAPTLMNAIRAK4
SCHEMBL28819594 0.79 TP53 (0.39) HCRTR1HCRTR2MAPTLMNATP53
SCHEMBL3566327 0.78 HCRTR1 (0.43) HCRTR1HCRTR2LMNAALDH1A1TSHR

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 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.