SCHEMBL712984

SCHEMBL712984

Sc1nc2cc3c(cc2[nH]1)OCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.44
CA2 P00918 1/20 0.39
NPY5R Q15761 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.36
BRS3 P32247 2/20 0.35
MAPT P10636 3/20 0.34
APEX1 P27695 1/20 0.34
CHEK1 O14757 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL712673 0.89 HDAC11 (0.40) PDE10ACA2NPY5RRPS6KB2MAPT
SCHEMBL10845987 0.86 HDAC11 (0.36) PDE10ACA2NPY5RRPS6KB2MAPT
SCHEMBL10845167 0.82 PDE10A (0.34) PDE10A
SCHEMBL11544115 0.78 FABP6 (0.52) PDE10ACA2NPY5RRPS6KB2BRS3
SCHEMBL3478941 0.78 CHRNB2 (0.45) PDE10ACA2NPY5RMAPTNPC1
SCHEMBL12439136 0.77 HDAC3 (0.38) MAPTNPC1RAB9ASMN1; SMN2MAPK10
SCHEMBL10843820 0.75 TSHR (0.43) MAPTMEN1KMT2ATSHR
SCHEMBL8306086 0.75 CSNK1E (0.42) NPY5R
SCHEMBL12111153 0.74 GAA (0.56) PDE10ACA2NPY5RBRS3MAPT
SCHEMBL12109112 0.74 ALDH1A1 (0.43) PDE10ACA2NPY5RBRS3MAPT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 US disclosed
WO-2014160405-A1 COMPOUNDS, COMPOSITIONS COMPRISING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2014-10-02 WO disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
US-8124780-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-28 US disclosed
EP-1870409-B1 BENZIMIDAZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2010-05-12 EP disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-20090203911-A1 BENZIMIDAZOLE COMPOUND MIYAZAWA SHUHEI 2009-08-13 US disclosed
US-7425634-B2 Benzimidazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-16 US disclosed
EP-0166287-B1 DIALKOXYRIDINES, PROCESS FOR THEIR PREPARATION, THEIR APPLICATION AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1989-08-23 EP disclosed
US-4766133-A ANTIULCER AGENTS HOFFMAN-LA ROCHE INC. (US) 1988-08-23 US disclosed
US-4758579-A e.g. pantoprazole or pantoprazole sodium BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-07-19 US disclosed
EP-0214479-A2 Benzimidazol-2-ylpyridinium compounds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-03-18 EP disclosed
US-4634710-A ANTIULCER, ANTISECRETORY HOFFMANN-LA ROCHE INC. (US) 1987-01-06 US disclosed
US-4599347-A ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1986-07-08 US disclosed
EP-0166287-A1 Dialkoxyridines, process for their preparation, their application and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1986-01-02 EP disclosed
EP-0163842-A1 Tricyclic imidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1985-12-11 EP disclosed
US-4554280-A ANTISECRETORY AGENTS, ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1985-11-19 US disclosed
US-4435406-A 2-PYRIDYL DERIVATIVES OF 1,3-DIOXOLO(4,5-F)BENZIMIDAZOLE RING COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 1984-03-06 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 (2 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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 PDE10A 978/4885CA2 1246/4885NPY5R 4598/4885
US-20090203911-A1 BENZIMIDAZOLE COMPOUND HRH2, HRH4, HRH1 PDE10A 3492/4885CA2 60/4885NPY5R 1585/4885

“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.