SCHEMBL3567094

SCHEMBL3567094

CCCCNC(=O)C(Cc1ccccc1)(C1=COCO1)n1c(-c2cccn2C)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 4/20 0.36
ASAH1 Q13510 3/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 3/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NSD2 O96028 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3571814 0.82 ASAH1 (0.36) ALDH1A1KDM4ETSHRMAPTSMN1; SMN2
SCHEMBL4037069 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRMAPTSMN1; SMN2
SCHEMBL4207251 0.66 KDM4E (0.44) ALDH1A1KDM4ETSHRMAPTSMN1; SMN2
SCHEMBL3567092 0.65 USP2 (0.45) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL4037072 0.65 ALDH1A1 (0.40) ALDH1A1KDM4ETSHRMAPTSMN1; SMN2
SCHEMBL22798839 0.57 ASAH1 (0.61) ALDH1A1TSHRSMN1; SMN2LMNAGAA
SCHEMBL7639089 0.57 ASAH1 (0.73) ALDH1A1TSHRSMN1; SMN2LMNAGAA
SCHEMBL7422885 0.56 HPGD (0.64) KDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL3051146 0.56 ASAH1 (0.80) ALDH1A1TSHRMAPTSMN1; SMN2HSD17B10
SCHEMBL6926893 0.56 TSHR (0.79) ALDH1A1KDM4ETSHRLMNAHSD17B10

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 12 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
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
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 ALDH1A1 3155/4885KDM4E 4172/4885TSHR 2137/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 ALDH1A1 2924/4885KDM4E 4255/4885TSHR 2004/4885
US-20080021027-A1 Novel benzimidazole derivatives NR1H4, GPR119, GLP1R ALDH1A1 1611/4885KDM4E 2856/4885TSHR 106/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 ALDH1A1 3155/4885KDM4E 4172/4885TSHR 2137/4885

“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.