SCHEMBL3565825

SCHEMBL3565825

COc1cccc(-c2nc3ccccc3n2C(CCc2ccccc2)C(=O)NC(C)C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.40
LMNA P02545 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ASAH1 Q13510 1/20 0.39
AVPR1B P47901 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TP53 P04637 2/20 0.37
MDM2 Q00987 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL29880962 1.00 KMT2A (0.41) KMT2AMEN1ATMPKMLMNA
SCHEMBL3564887 0.89 MEN1 (0.42) KMT2AMEN1ATMPKMLMNA
SCHEMBL29881718 0.89 MEN1 (0.42) KMT2AMEN1ATMPKMLMNA
SCHEMBL3561746 0.87 MEN1 (0.44) KMT2AMEN1ATMPKMLMNA
SCHEMBL29880591 0.87 MEN1 (0.44) KMT2AMEN1ATMPKMLMNA
SCHEMBL3565902 0.87 NR1H4 (0.48) KMT2AMEN1LMNAHTTTP53
SCHEMBL3565876 0.85 MEN1 (0.47) KMT2AMEN1PKMALDH1A1KDM4E
SCHEMBL29880761 0.85 MEN1 (0.47) KMT2AMEN1PKMALDH1A1KDM4E
SCHEMBL3569281 0.82 LMNA (0.45) KMT2AMEN1PKMLMNAALDH1A1
SCHEMBL3566663 0.80 NR1H4 (0.49) KMT2AMEN1LMNAALDH1A1KDM4E

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
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
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 KMT2A 3963/4885MEN1 4283/4885ATM 4683/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 KMT2A 4178/4885MEN1 4150/4885ATM 4761/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R KMT2A 3552/4885MEN1 3627/4885ATM 2267/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 KMT2A 3963/4885MEN1 4283/4885ATM 4683/4885

“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.