Sugi Predict

Sugi Predict / Compounds / SCHEMBL552453

SCHEMBL552453

SCHEMBL552453

N#Cc1cc(Br)cc(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ TTR P02766 2/20 0.39
▸ ALB P02768 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ P4HB P07237 1/20 0.36
▸ MAOA P21397 3/20 0.33
▸ MAOB P27338 3/20 0.33
▸ FBP1 P09467 2/20 0.33
▸ VCAM1 P19320 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ ERN1 O75460 1/20 0.31
▸ EGFR P00533 1/20 0.31

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
SCHEMBL2161087 0.84 VCAM1 (0.38) TTRALBMEN1KMT2AFBP1
SCHEMBL29951645 0.84 VCAM1 (0.38) TTRALBMEN1KMT2AFBP1
SCHEMBL16951760 0.79 TTR (0.39) TTRALBMEN1KMT2AP4HB
SCHEMBL30293931 0.79 TTR (0.39) TTRALBMEN1KMT2AP4HB
SCHEMBL16950462 0.79 TTR (0.43) TTRALBMEN1KMT2AP4HB
SCHEMBL200313 0.77 TTR (0.52) ALDH1A1TTRALBMEN1KMT2A
SCHEMBL646947 0.77 ALDH1A1 (0.56) ALDH1A1MAOAMAOBPTGS2ERN1
SCHEMBL504640 0.77 TTR (0.52) ALDH1A1TTRALBMEN1KMT2A
SCHEMBL708554 0.77 ALDH1A1 (0.56) ALDH1A1MAOAMAOBPTGS2ERN1
SCHEMBL8704159 0.76 ALDH1A1 (0.69) ALDH1A1P4HBMAOAMAOBFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551839-B Heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-04 — — CN disclosed
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-18 — — US disclosed
US-11629139-B2 Small molecule inhibitors of Ebola and Lassa fever viruses and methods of use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-18 — — US disclosed
CN-115551839-A Heteroaryl-triazole compounds as pesticides 拜耳公司 2022-12-30 — — CN disclosed
EP-4107151-A1 HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-12-28 — — EP disclosed
CN-108602809-B Isoxazolidine derived inhibitors of receptor interacting protein kinase 1(RIPK 1) 戴纳立制药公司 2022-09-30 — — CN disclosed
EP-3514149-B1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-05-18 — — EP disclosed
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 — — US disclosed
US-10774083-B2 Heterocyclic amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-15 — — US disclosed
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) DENALI THERAPEUTICS INC. (US) 2020-07-14 — — US disclosed
WO-2010009047-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-21 — — WO disclosed
EP-1558577-B1 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2009-12-30 — — EP disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 — — US disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 — — WO disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 — — WO disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 — — EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 — — WO disclosed
US-20060128752-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-15 — — US disclosed
EP-1558577-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-08-03 — — EP disclosed
WO-2004005256-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-15 — — 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-11629139-B2 Small molecule inhibitors of Ebola and Lassa fever viruses and methods of use CCR8, RPS8, HDHD5 ALDH1A1 3354/4885TTR 1833/4885ALB 2829/4885
US-20060128752-A1 Chemical compounds HTR7, NPSR1, TACR2 ALDH1A1 4078/4885TTR 1113/4885ALB 4069/4885
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 ALDH1A1 4213/4885TTR 2546/4885ALB 4490/4885
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 ALDH1A1 3354/4885TTR 1833/4885ALB 2829/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA ALDH1A1 2634/4885TTR 4871/4885ALB 4781/4885
US-10709692-B2 Isoxazolidine derived inhibitors of receptor interacting protein kinase 1 (RIPK1) RIPK1, RIPK2, RIPK3 ALDH1A1 4555/4885TTR 4765/4885ALB 4310/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 ALDH1A1 3401/4885TTR 4632/4885ALB 4391/4885

“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.