SCHEMBL2589301

SCHEMBL2589301

CCCCC(/N=C/c1ccccc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 5/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
PIN1 Q13526 1/20 0.40
FAAH O00519 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA2 P00918 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 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
SCHEMBL6838827 1.00 MIF (0.46) MIFMEN1KMT2ATDP1POLB
SCHEMBL2589303 1.00 MIF (0.46) MIFMEN1KMT2ATDP1POLB
SCHEMBL8306398 0.92 MIF (0.50) MIFMEN1KMT2ATDP1POLB
SCHEMBL8470843 0.92 MIF (0.50) MIFMEN1KMT2ATDP1POLB
SCHEMBL13499995 0.89 MIF (0.45) MIFTDP1ALDH1A1FAAHLMNA
SCHEMBL349917 0.89 MIF (0.58) MIFTDP1FAAHCA2
SCHEMBL349916 0.89 MIF (0.58) MIFTDP1FAAHCA2
SCHEMBL20848265 0.88 MIF (0.44) MIFMEN1KMT2ATDP1POLB
SCHEMBL22286019 0.85 MIF (0.43) MIFMEN1KMT2APOLBSMN1; SMN2
SCHEMBL22286018 0.85 MIF (0.43) MIFMEN1KMT2APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326728-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2025-10-23 US disclosed
EP-4551562-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS Albireo AB (SE) 2025-05-14 EP disclosed
CN-119487013-A Benzothiepine (di) nitrogen cycloheptatriene compounds Compounds and their use as bile acid modulators 阿尔比里奥公司 2025-02-18 CN disclosed
US-12187690-B2 Benzothiadiazepine compounds and their use as bile acid modulators ALBIREO AB (SE) 2025-01-07 US disclosed
CN-118852054-A Benzothiadiazepines cycloheptatriene compounds Compounds and their use as bile acid modulators 阿尔比里奥公司 2024-10-29 CN disclosed
WO-2024184924-A1 \"AN IMPROVED PROCESS FOR THE PREPARATION OF ODEVIXIBAT AND ITS CRYSTALLINE FORMS\ RK PHARMA INC (US) 2024-09-12 WO disclosed
CN-113677398-B Benzothiadiazepine compounds and their use as bile acid modulators 阿尔比里奥公司 2024-07-23 CN disclosed
US-20240067617-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-02-29 US disclosed
US-20240067617-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-02-29 US disclosed
US-20240067617-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2024-02-29 US disclosed
WO-2020161217-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-13 WO disclosed
US-20200247769-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS ALBIREO AB (SE) 2020-08-06 US disclosed
EP-2563122-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2016-06-08 EP disclosed
US-9040518-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2015-05-26 US disclosed
EP-2563122-A1 CHEMICAL COMPOUNDS Glaxosmithkline LLC (US) 2013-03-06 EP disclosed
US-20130029938-A1 Chemical Compounds GLAXOSMITHKLINE LLC (US) 2013-01-31 US disclosed
WO-2011137135-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 WO disclosed
US-20040077625-A1 Novel 1,4-benzothiazepine and 1,5-benzothiazepine compounds as inhibitors of apical sodium codependent bile acid transport abd taurocholate uptake PHARMACIA CORPORATION 2004-04-22 US disclosed
US-20020183307-A1 Novel 1,4-benzothiazephine and 1,5-benzothiazepine compounds as inhibitors of apical sodium co-dependent bile acid transport and taurocholate uptake G.D. SEARLE LLC 2002-12-05 US disclosed
WO-2002008211-A2 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS G.D. SEARLE, LLC. (US) 2002-01-31 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 (7 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-20200247769-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 MIF 3706/4885MEN1 4640/4885KMT2A 1642/4885
US-20040077625-A1 Novel 1,4-benzothiazepine and 1,5-benzothiazepine compounds as inhibitors of apical sodium codependent bile acid transport abd taurocholate uptake SLC10A1, ABCB11, SLC10A2 MIF 4685/4885MEN1 2842/4885KMT2A 1686/4885
US-20250326728-A1 BENZOTHIADIAZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 MIF 3706/4885MEN1 4640/4885KMT2A 1642/4885
US-20020183307-A1 Novel 1,4-benzothiazephine and 1,5-benzothiazepine compounds as inhibitors of apical sodium co-dependent bile acid transport and taurocholate uptake SLC10A1, SLC10A2, ABCB11 MIF 4476/4885MEN1 2349/4885KMT2A 1796/4885
US-20130029938-A1 Chemical Compounds CYP11B1, GOT2, CYP11B2 MIF 4339/4885MEN1 732/4885KMT2A 2624/4885
US-12187690-B2 Benzothiadiazepine compounds and their use as bile acid modulators SLC10A1, SLC10A2, ABCB11 MIF 3706/4885MEN1 4640/4885KMT2A 1642/4885
US-20240067617-A1 BENZOTHIA(DI)AZEPINE COMPOUNDS AND THEIR USE AS BILE ACID MODULATORS SLC10A1, SLC10A2, ABCB11 MIF 4512/4885MEN1 4086/4885KMT2A 1111/4885

“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.