SCHEMBL500133

SCHEMBL500133

N#Cc1ccc(Br)c(CO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TTR P02766 1/20 0.42
ALB P02768 1/20 0.42
CA2 P00918 3/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GSK3B P49841 2/20 0.36
CXCR2 P25025 2/20 0.36
CXCR1 P25024 1/20 0.36
PTPN1 P18031 2/20 0.35
PTPN2 P17706 1/20 0.35
ERBB2 P04626 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CA1 P00915 2/20 0.34

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
SCHEMBL20482939 0.85 MEN1 (0.39) MEN1KMT2ATTRALBCA2
SCHEMBL1232210 0.84 MEN1 (0.47) MEN1KMT2ATTRALBCA2
SCHEMBL1232330 0.82 MEN1 (0.39) MEN1KMT2ATTRALBCA2
SCHEMBL595139 0.81 PARP15 (0.44) MEN1KMT2ACYP19A1
SCHEMBL13608787 0.81 CA2 (0.41) MEN1KMT2ACA2CA12CA3
SCHEMBL27528549 0.80 LOXL2 (0.47) MEN1KMT2ATTRALBCA2
SCHEMBL2934457 0.80 CYP2A6 (0.47) MEN1KMT2ATTRALBGSK3B
SCHEMBL27455430 0.78 GSK3B (0.39) MEN1KMT2ATTRALBGSK3B
SCHEMBL6214320 0.78 KLF10 (0.46) MEN1KMT2ACA2CA12CA3
SCHEMBL16961104 0.78 CA2 (0.38) MEN1KMT2ACA2CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010622-B Preparation method of 2-bromo-5-cyanobenzaldehyde 山东百启生物医药有限公司 2024-01-09 CN claimed
CN-115010622-A Preparation method of 2-bromo-5-cyanobenzaldehyde 山东百启生物医药有限公司 2022-09-06 CN claimed
US-12637418-B2 Heterocyclic compounds as antagonist of NMDA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-26 US disclosed
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 US disclosed
WO-2024044098-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed
CN-115010622-B Preparation method of 2-bromo-5-cyanobenzaldehyde 山东百启生物医药有限公司 2024-01-09 CN disclosed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
CN-115010622-A Preparation method of 2-bromo-5-cyanobenzaldehyde 山东百启生物医药有限公司 2022-09-06 CN disclosed
US-20220089525-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-03-24 US disclosed
EP-3971191-A1 BORON-CONTAINING SMALL MOLECULES Bill And Melinda Gates Foundation (US) 2022-03-23 EP disclosed
EP-3915638-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2021-12-01 EP disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 WO disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
WO-2007131072-A2 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2007-11-15 WO disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
WO-2007095638-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2007-08-23 WO disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
US-20060234981-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2006-10-19 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 (9 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-20060234981-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 MEN1 522/4885KMT2A 2353/4885TTR 3133/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 MEN1 4629/4885KMT2A 4096/4885TTR 1784/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA MEN1 3979/4885KMT2A 4553/4885TTR 3794/4885
US-20220089525-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2B, GRIN2A MEN1 675/4885KMT2A 1193/4885TTR 3592/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA MEN1 3979/4885KMT2A 4553/4885TTR 3794/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF MEN1 4264/4885KMT2A 4406/4885TTR 3590/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 MEN1 522/4885KMT2A 2353/4885TTR 3133/4885
US-12637418-B2 Heterocyclic compounds as antagonist of NMDA GRIN1, GRIN3A, GRIN2A MEN1 1063/4885KMT2A 625/4885TTR 3470/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA MEN1 663/4885KMT2A 2279/4885TTR 1937/4885

“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.