SCHEMBL3064663

SCHEMBL3064663

O=C(O)CSc1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.54
AKR1B1 P15121 1/20 0.52
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
APEX1 P27695 1/20 0.47
CYP1A2 P05177 1/20 0.46
CDC25B P30305 1/20 0.46
SOD1 P00441 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PPARA Q07869 1/20 0.43
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL19982393 0.83 ALDH1A1 (0.46) AKR1B1KDM4EKMT2AMEN1SOD1
SCHEMBL11206055 0.81 APEX1 (0.48) FFAR1AKR1B1KDM4EKMT2AMEN1
SCHEMBL3979840 0.81 ALDH1A1 (0.48) AKR1B1KMT2AMEN1SOD1ALDH1A1
SCHEMBL6243529 0.80 CYP1A2 (0.53) FFAR1AKR1B1KDM4EKMT2AMEN1
SCHEMBL29812491 0.79 CYP1A2 (0.61) FFAR1AKR1B1KDM4EKMT2AMEN1
SCHEMBL1157659 0.79 CYP1A2 (0.61) FFAR1AKR1B1KDM4EKMT2AMEN1
SCHEMBL3454803 0.77 ALDH1A1 (0.51) AKR1B1KMT2AMEN1SOD1ALDH1A1
SCHEMBL351155 0.77 CYP1A2 (0.50) FFAR1AKR1B1KDM4EKMT2AMEN1
SCHEMBL11264770 0.77 APEX1 (0.44) AKR1B1KDM4EKMT2AMEN1APEX1
SCHEMBL3070296 0.76 POLB (0.62) FFAR1AKR1B1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083799-B Benzimidazole derivatives used as FXR agonists HOFFMANN LA ROCHE 2013-10-16 CN disclosed
EP-2188263-B1 BENZIMIDAZOLE DERIVATIVES USED AS FXR AGONISTS HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-102083799-A Benzimidazole derivatives used as FXR agonists HOFFMANN LA ROCHE 2011-06-01 CN disclosed
US-7790904-B2 Substituted benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
EP-2188263-A1 BENZIMIDAZOLE DERIVATIVES USED AS FXR AGONISTS F. Hoffmann-Roche AG (CH) 2010-05-26 EP disclosed
US-20090062356-A1 SUBSTITUTED BENZIMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-03-05 US disclosed
WO-2009027264-A1 BENZIMIDAZOLE DERIVATIVES USED AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-05 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
US-6080768-A USEFUL IN THE TREATMENT OF ARTERIAL HYPERTENSION AND HEART FAILURE, RENAL INSUFFICIENCY, PERIPHERAL ARTERIOPATHIES AND CEREBROVASCULAR INSUFFICIENCIES ZAMBON GROUP S.P.A. (IT) 2000-06-27 US disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0719252-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 1998-02-18 EP disclosed
EP-0719252-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1996-07-03 EP disclosed
WO-1995007885-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1995-03-23 WO disclosed
US-4892952-A Substituted heteroaralkyl, heteroaralkenyl or halomethyl fungicides CHEVRON RESEARCH COMPANY (US) 1990-01-09 US disclosed
US-4782074-A Fungicidal N,N-disubstituted-heterocyclic carboxamides CHEVRON RESEARCH COMPANY (US) 1988-11-01 US disclosed
US-4672065-A TOMATO LATE BLIGHT CHEVRON RESEARCH COMPANY (US) 1987-06-09 US disclosed
US-4654346-A Fungicidal N,N-disubstituted-heterocyclic carboxamides CHEVRON RESEARCH COMPANY (US) 1987-03-31 US disclosed
US-4588735-A Fungicidal (trihalophenoxy or trihalophenthio) alkylaminoalkyl pyridines and pyrroles CHEVRON RESEARCH COMPANY (US) 1986-05-13 US disclosed
US-4535087-A FOR TOMATO LATE BLIGHT CHEVRON RESEARCH COMPANY (US) 1985-08-13 US disclosed
US-4504484-A Certain N,N-di-substituted-pyridine carboxamides, fungicidal compositions and fungicidal method of use CHEVRON RESEARCH COMPANY (US) 1985-03-12 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 (1 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-20090062356-A1 SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NR1H4, SLC10A1, FXR1 FFAR1 84/4885AKR1B1 1073/4885KDM4E 3353/4885

“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.