SCHEMBL753100

SCHEMBL753100

CN1C(=O)C(=O)c2ccc(Br)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.55
TTR P02766 1/20 0.55
CASP3 P42574 5/20 0.49
S100A4 P26447 1/20 0.47
CUL4A Q13619 1/20 0.44
APP P05067 1/20 0.44
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.42
ALDH1A1 P00352 3/20 0.42
ALDH2 P05091 2/20 0.42
ALDH3A1 P30838 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 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
SCHEMBL29704375 1.00 CES1 (0.55) CES1TTRCASP3S100A4CUL4A
SCHEMBL30704873 0.85 CASP3 (0.62) CES1TTRCASP3S100A4CUL4A
SCHEMBL13058807 0.85 PIM1 (0.47) CES1TTRCASP3S100A4CUL4A
SCHEMBL3005504 0.85 CASP3 (0.62) CES1TTRCASP3S100A4CUL4A
SCHEMBL19657305 0.78 TTR (0.57) CES1TTRCASP3APPCASP1
SCHEMBL28580167 0.78 APP (0.39) CES1CASP3S100A4CUL4AAPP
SCHEMBL7780180 0.77 CES1 (0.55) CES1TTRCASP3S100A4CASP1
SCHEMBL31536334 0.77 CES1 (0.55) CES1TTRCASP3S100A4CASP1
SCHEMBL30404664 0.77 TTR (0.55) CES1TTRCASP3CASP1CASP4
SCHEMBL15094827 0.77 TTR (0.55) CES1TTRCASP3CASP1CASP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110183372-B Isatin compound and preparation method and application thereof 山东大学 2020-10-30 CN claimed
US-12617783-B2 Heterocyclic GLP-1R agonists BIOMEA FUSION, INC. (US) 2026-05-05 US disclosed
EP-4081521-B1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LTD (IN) 2025-12-10 EP disclosed
US-20250353817-A1 INTERLUKIN-17A INHIBITORS AND USES THEREOF GILEAD SCIENCES INC (US) 2025-11-20 US disclosed
US-20250304572-A1 HETEROCYCLIC GLP-1R AGONISTS BIOMEA FUSION, INC. 2025-10-02 US disclosed
EP-4067347-B1 HETEROCYCLIC INHIBITORS OF CBP/EP300 FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2024-06-19 EP disclosed
CN-115605476-B Substituted tricyclic compounds 鲁宾有限公司 2024-05-24 CN disclosed
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 US disclosed
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 US disclosed
CN-111433195-B Pyridone derivatives and their use as selective ALK-2 inhibitors 诺华股份有限公司 2023-04-25 CN disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
WO-2010130794-A1 5-PYRIDIN-3-YL-1,3-DIHYDRO-INDOL-2-ON DERIVATIVES AND THEIR USE AS MODULATORS OF ALDOSTERONE SYNTHASE AND/OR CYP11B1 NOVARTIS AG (CH) 2010-11-18 WO disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 WO disclosed
US-20070276025-A1 Indirubin-Type Compounds, Compositions, and Methods for Their Use MEIJER LAURENT 2007-11-29 US disclosed
EP-1686988-A1 INDIRUBIN-TYPE COMPOUNDS, COMPOSITIONS, AND METHODS FOR THEIR USE THE ROCKEFELLER UNIVERSITY (US) 2006-08-09 EP disclosed
WO-2005041954-A1 INDIRUBIN-TYPE COMPOUNDS, COMPOSITIONS, AND METHODS FOR THEIR USE THE ROCKEFELLER UNIVERSITY (US) 2005-05-12 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 (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-20250304572-A1 HETEROCYCLIC GLP-1R AGONISTS GLP1R, GPR119, GIPR CES1 939/4885TTR 4722/4885CASP3 1226/4885
US-12617783-B2 Heterocyclic GLP-1R agonists GLP1R, GIPR, GPR119 CES1 420/4885TTR 4209/4885CASP3 782/4885
US-20250353817-A1 INTERLUKIN-17A INHIBITORS AND USES THEREOF IL17A, IL15, IL23R CES1 3965/4885TTR 1306/4885CASP3 758/4885
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ CES1 90/4885TTR 3945/4885CASP3 163/4885
US-20070276025-A1 Indirubin-Type Compounds, Compositions, and Methods for Their Use CDK3, GSK3B, CDK7 CES1 1902/4885TTR 2739/4885CASP3 613/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 CES1 1644/4885TTR 3743/4885CASP3 416/4885

“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.