SCHEMBL3569230

SCHEMBL3569230

COc1ccc(-c2nc3ccccc3n2C(CC(C)C)C(=O)NC2CCCCC2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.56
CTDSP1 Q9GZU7 1/20 0.47
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
F2 P00734 1/20 0.42

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
SCHEMBL3569773 0.90 NR1H4 (0.52) NR1H4CTDSP1TP53ALOX15TSHR
Hydrochloric Acid SCHEMBL3572751 0.90 NR1H4 (0.50) NR1H4CTDSP1TP53ALOX15TSHR
Hydrochloric Acid SCHEMBL3560590 0.89 NR1H4 (0.51) NR1H4CTDSP1TP53ALOX15TSHR
Hydrochloric Acid SCHEMBL3572748 0.89 NR1H4 (0.49) NR1H4CTDSP1TP53ALOX15TSHR
SCHEMBL3573337 0.89 NR1H4 (0.49) NR1H4CTDSP1TP53ALOX15TSHR
Hydrochloric Acid SCHEMBL3560589 0.88 NR1H4 (0.50) NR1H4CTDSP1TP53ALOX15TSHR
SCHEMBL3576255 0.87 NR1H4 (0.64) NR1H4CTDSP1TP53
SCHEMBL3558528 0.87 NR1H4 (0.64) NR1H4CTDSP1TP53
SCHEMBL198965 0.87 NR1H4 (0.64) NR1H4CTDSP1TP53
SCHEMBL29880550 0.87 NR1H4 (0.64) NR1H4CTDSP1TP53

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 10 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
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 NR1H4 1/4885CTDSP1 3938/4885TP53 3784/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 NR1H4 1/4885CTDSP1 4135/4885TP53 3905/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R NR1H4 1/4885CTDSP1 4361/4885TP53 4561/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 NR1H4 1/4885CTDSP1 3938/4885TP53 3784/4885

“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.