SCHEMBL3206943

SCHEMBL3206943

CC(C)(NC(=O)O)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL10915368 0.87 GAA (0.57) GAAMEN1KMT2ASMN1; SMN2HDAC3
SCHEMBL3979037 0.83 SMN1; SMN2 (0.43) GAAMEN1KMT2ASMN1; SMN2HDAC3
SCHEMBL28823466 0.82 SMN1; SMN2 (0.46) GAAMEN1KMT2ASMN1; SMN2HDAC3
SCHEMBL2176088 0.82 SMN1; SMN2 (0.46) GAAMEN1KMT2ASMN1; SMN2HDAC3
SCHEMBL2580865 0.81 AAK1 (0.45) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4500763 0.81 GAA (0.42) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12496747 0.81 MEN1 (0.41) GAAMEN1KMT2ASMN1; SMN2HDAC3
SCHEMBL4438544 0.81 MEN1 (0.41) GAAMEN1KMT2ASMN1; SMN2HDAC3
SCHEMBL6179163 0.81 GAA (0.47) GAAALDH1A1LMNAHTTCA1
SCHEMBL31303081 0.81 KMT2A (0.52) GAAMEN1KMT2ASMN1; SMN2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4349408-A2 METHODS FOR TREATING PROTEINOPATHIES Genzyme Corporation (US) 2024-04-10 EP disclosed
EP-3267983-B1 METHODS FOR TREATING PROTEINOPATHIES GENZYME CORP (US) 2023-12-20 EP disclosed
EP-4100009-A1 METHODS FOR TREATING NEUROLOGICAL SYMPTOMS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES Genzyme Corporation (US) 2022-12-14 EP disclosed
US-20220110922-A1 TREATMENT OF CILIOPATHIES USING INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE (GCS) GENZYME CORPORATION (US) 2022-04-14 US disclosed
US-20220023273-A1 METHODS FOR TREATING SYMPTOMS AND DISORDERS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES GENZYME CORPORATION (US) 2022-01-27 US disclosed
US-20220016092-A1 METHODS FOR TREATING SYMPTOMS AND DISORDERS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES GENZYME CORPORATION (US) 2022-01-20 US disclosed
EP-3920912-A1 TREATMENT OF CILIOPATHIES USING INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE (GCS) Genzyme Corporation (US) 2021-12-15 EP disclosed
EP-3920913-A1 METHODS FOR TREATING SYMPTOMS AND DISORDERS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES Genzyme Corporation (US) 2021-12-15 EP disclosed
EP-3920914-A1 METHODS FOR TREATING SYMPTOMS AND DISORDERS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES Genzyme Corporation (US) 2021-12-15 EP disclosed
US-20210251982-A1 METHODS FOR TREATING NEUROLOGICAL SYMPTOMS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES GENZYME CORPORATION 2021-08-19 US disclosed
WO-2012129084-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2012-09-27 WO disclosed
CN-101583598-B Novel indole derivative having inhibitory activity on i kappa b kinase SANTEN PHARMACEUTICAL CO LTD 2012-09-12 CN disclosed
US-8193237-B2 Indole derivative having IκB kinase β inhibitory activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
EP-1833836-B1 IMIDAZO-FUSED THIAZOLO [4,5-B] PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2011-12-21 EP disclosed
US-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-2119703-A1 NOVEL INDOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON I B KINASE Santen Pharmaceutical Co., Ltd (JP) 2009-11-18 EP disclosed
CN-101583598-A Novel indole derivative having inhibitory activity on i kappa b kinase ss SANTEN PHARMACEUTICAL CO LTD (JP) 2009-11-18 CN disclosed
EP-1833836-A1 IMIDAZO-FUSED THIAZOLO [4,5-B] PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Brystol-Myers Squibb Company (US) 2007-09-19 EP disclosed
WO-2006053120-A1 IMIDAZO-FUSED THIAZOLO[4,5-b]PYRIDINE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-18 WO disclosed
US-20060106051-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-05-18 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 (6 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-20100041628-A1 NOVEL INDOLE DERIVATIVE HAVING IKAPPAB KINASE BETA INHIBITORY ACTIVITY NFKBIA, IKBKB, IKBKG GAA 3503/4885MEN1 3778/4885KMT2A 823/4885
US-20060106051-A1 Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same TPMT, IRAK4, P2RX7 GAA 3679/4885MEN1 3674/4885KMT2A 3356/4885
US-20220016092-A1 METHODS FOR TREATING SYMPTOMS AND DISORDERS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES GAA, GBA1, GALC GAA 1/4885MEN1 2928/4885KMT2A 2896/4885
US-20210251982-A1 METHODS FOR TREATING NEUROLOGICAL SYMPTOMS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES GBA1, GBA2, CLN6 GAA 5/4885MEN1 1953/4885KMT2A 2199/4885
US-20220110922-A1 TREATMENT OF CILIOPATHIES USING INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE (GCS) GBA1, GBA2, GALC GAA 10/4885MEN1 2612/4885KMT2A 3846/4885
US-20220023273-A1 METHODS FOR TREATING SYMPTOMS AND DISORDERS ASSOCIATED WITH LYSOSOMAL STORAGE DISEASES GAA, GBA1, CMA1 GAA 1/4885MEN1 3446/4885KMT2A 1489/4885

“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.