SCHEMBL3565876

SCHEMBL3565876

COc1ccc(-c2nc3ccccc3n2C(CCc2ccccc2)C(=O)NC(C)C)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 1/20 0.45
NTRK1 P04629 3/20 0.43
NTRK2 Q16620 3/20 0.43
HSP90AA1 P07900 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 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
SCHEMBL29880761 1.00 MEN1 (0.47) MEN1KMT2ANPC1NTRK1NTRK2
SCHEMBL3573337 0.87 NR1H4 (0.49) MEN1KMT2ANTRK1NTRK2TSHR
SCHEMBL29880962 0.85 KMT2A (0.41) MEN1KMT2ANPSR1SMN1; SMN2KDM4E
SCHEMBL3565825 0.85 KMT2A (0.41) MEN1KMT2ANPSR1SMN1; SMN2KDM4E
SCHEMBL29881036 0.85 NPSR1 (0.46) MEN1KMT2ANTRK1NTRK2HSP90AA1
Hydrochloric Acid SCHEMBL3567309 0.82 NR1H4 (0.48) MEN1KMT2ANTRK1NTRK2TSHR
SCHEMBL29881778 0.81 TSHR (0.47) MEN1KMT2ANPC1MAPTTSHR
SCHEMBL22440190 0.81 TSHR (0.47) MEN1KMT2ANPC1MAPTTSHR
Hydrochloric Acid SCHEMBL3567308 0.81 NR1H4 (0.47) MEN1KMT2ANTRK1NTRK2TSHR
SCHEMBL3569281 0.79 LMNA (0.45) MEN1KMT2ANPSR1SMN1; SMN2MAPT

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 MEN1 4283/4885KMT2A 3963/4885NPC1 17/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 MEN1 4150/4885KMT2A 4178/4885NPC1 24/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R MEN1 3627/4885KMT2A 3552/4885NPC1 69/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 MEN1 4283/4885KMT2A 3963/4885NPC1 17/4885

“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.