SCHEMBL3569680

SCHEMBL3569680

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
HPGD P15428 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
TP53 P04637 4/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
BRD4 O60885 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
MMP2 P08253 1/20 0.38
MDM2 Q00987 1/20 0.38
HCRTR1 O43613 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
SCHEMBL3567847 0.95 IRAK4 (0.42) IRAK4TSHRALDH1A1KDM4EMEN1
SCHEMBL3576145 0.93 HCRTR1 (0.43) IRAK4TP53TSHRALDH1A1KDM4E
SCHEMBL3573371 0.91 HCRTR1 (0.46) IRAK4TP53TSHRALDH1A1BRD4
SCHEMBL29881284 0.86 RORC (0.48) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL3570731 0.86 RORC (0.48) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL3569013 0.85 C5AR1 (0.43) IRAK4TSHRALDH1A1KDM4EMEN1
SCHEMBL3564525 0.84 SMN1; SMN2 (0.40) IRAK4TSHRALDH1A1KDM4EMEN1
SCHEMBL28819594 0.80 TP53 (0.39) IRAK4TP53TSHRALDH1A1KDM4E
SCHEMBL3566327 0.79 HCRTR1 (0.43) TSHRALDH1A1MEN1KMT2AHCRTR1
SCHEMBL3567263 0.78 NR1H4 (0.48) CYP3A4CYP2D6CYP2C9NR1H4TP53

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 9 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
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-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 CYP1A2 178/4885CYP3A4 170/4885CYP2D6 600/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 CYP1A2 138/4885CYP3A4 125/4885CYP2D6 441/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R CYP1A2 811/4885CYP3A4 291/4885CYP2D6 1076/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 CYP1A2 178/4885CYP3A4 170/4885CYP2D6 600/4885

“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.