SCHEMBL4642441

SCHEMBL4642441

c1ccc2c(c1)NCCNS2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPT P10636 5/20 0.38
ALOX12 P18054 2/20 0.38
NOX1 Q9Y5S8 2/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALOX15 P16050 1/20 0.38
MAOA P21397 1/20 0.38
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL1648596 0.80 GAA (0.45) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL2810520 0.76 MAOB (0.40) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL7242882 0.76 MEN1 (0.61) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL29408147 0.72 GAA (0.54) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL123812 0.72 GAA (0.54) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL29144954 0.72 GAA (0.54) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL7238837 0.72 SNCA (0.34) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL3556450 0.71 GAA (0.96) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL12160120 0.71 GAA (0.55) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL29364653 0.71 GAA (0.96) GAAMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4629997-A1 ASBT INHIBITORS IN THE TREATMENT OF RENAL DISEASES Albireo AB (SE) 2025-10-15 EP disclosed
EP-4511038-A1 SUBCUTANEOUS ADMINISTRATION OF AN ASBT INHIBITOR Albireo AB (SE) 2025-02-26 EP disclosed
US-12145959-B2 Bile acid recycling inhibitors for treatment of hypercholemia and cholestatic liver disease SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2024-11-19 US 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
WO-2024121434-A1 ASBT INHIBITORS IN THE TREATMENT OF RENAL DISEASES ALBIREO AB (SE) 2024-06-13 WO disclosed
WO-2023203248-A1 SUBCUTANEOUS ADMINISTRATION OF AN ASBT INHIBITOR ALBIREO AB (SE) 2023-10-26 WO disclosed
US-20230212211-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2023-07-06 US disclosed
CN-114096268-A Methods for increasing growth in pediatric subjects with cholestatic liver disease 米鲁姆制药公司 2022-02-25 CN disclosed
CN-114072153-A Methods for treating cholestasis 米鲁姆制药公司 2022-02-18 CN disclosed
EP-2771003-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES Lumena Pharmaceuticals, Inc. (US) 2014-09-03 EP disclosed
WO-2006137796-A1 NOVEL 2-AZETIDINONE DERIVATIVES AS CHOLESTEROL ABSORPTION INHIBITORS FOR THE TREATMENT OF HYPERLIPIDAEMIC CONDITIONS ASTRAZENECA AB (SE) 2006-12-28 WO disclosed
EP-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP disclosed
EP-1539120-A1 COMBINATION OF AN IBAT INHIBITOR AND A METAL SALT FOR THE TREATMENT OF DIARRHOEA Astrazeneca AB (SE) 2005-06-15 EP disclosed
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 WO disclosed
WO-2004006899-A1 COMBINATION OF AN IBAT INHIBITOR AND A METAL SALT FOR THE TREATMENT OF DIARRHOEA ASTRAZENECA AB (SE) 2004-01-22 WO disclosed
US-6624157-B2 Antitumor agents BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
US-20010039273-A1 Thiadioxobenzodiazepine inhibitors of farnesyl protein transferase DING CHARLES Z (US) 2001-11-08 US disclosed
EP-0918771-A4 THIADIOXOBENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2001-02-07 EP disclosed
EP-0918771-A1 THIADIOXOBENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-02 EP disclosed
WO-1998002436-A1 THIADIOXOBENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1998-01-22 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 (3 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-20230212211-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SLC10A1, SLC10A2, ABCB11 GAA 259/4885MEN1 3173/4885KMT2A 2618/4885
US-12145959-B2 Bile acid recycling inhibitors for treatment of hypercholemia and cholestatic liver disease SLC10A1, SLC10A2, ABCB11 GAA 259/4885MEN1 3173/4885KMT2A 2618/4885
US-20010039273-A1 Thiadioxobenzodiazepine inhibitors of farnesyl protein transferase CBR1, CBR3, FNTB GAA 4577/4885MEN1 4461/4885KMT2A 4181/4885

“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.