SCHEMBL2103553

SCHEMBL2103553

O=[N+]([O-])c1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.68
MAPT P10636 7/20 0.67
LMNA P02545 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
GAA P10253 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
HTT P42858 2/20 0.63
KDM4E B2RXH2 1/20 0.63
NPC1 O15118 1/20 0.63
HPGD P15428 1/20 0.62
SLC6A9 P48067 2/20 0.61
SLC6A5 Q9Y345 2/20 0.61
MAPK1 P28482 1/20 0.58
IDE P14735 1/20 0.56
RAB9A P51151 1/20 0.56

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
SCHEMBL29937693 1.00 ALDH1A1 (0.68) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL6815260 0.85 GAA (0.69) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL3920380 0.85 SLC6A5 (0.86) ALDH1A1MAPTSMN1; SMN2SLC6A9SLC6A5
SCHEMBL7800482 0.84 GAA (0.72) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL6811691 0.84 GAA (0.71) ALDH1A1MAPTLMNASMN1; SMN2GAA
SCHEMBL2061743 0.83 ALDH1A1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL1026363 0.83 ALDH1A1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL210786 0.83 ALDH1A1 (0.69) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL3252577 0.83 ALDH1A1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL2388988 0.83 ALDH1A1 (0.66) ALDH1A1MAPTLMNASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-20 US disclosed
EP-4367103-B1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2025-09-03 EP disclosed
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-02-13 US disclosed
US-20240376084-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2024-11-14 US disclosed
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-06 US disclosed
EP-4367103-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-05-15 EP disclosed
CN-115215816-B Synthesis method of lactam compound 普济生物科技(台州)有限公司 2024-02-02 CN disclosed
WO-2023280970-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-01-12 WO disclosed
WO-2023280970-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-01-12 WO disclosed
CN-115215816-A Synthesis method of lactam compound 普济生物科技(台州)有限公司 2022-10-21 CN disclosed
US-8158621-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-04-17 US disclosed
US-7825116-B2 -(2-Aminopyrid-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for immunoglobulins IgE and IgG antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-11-02 US disclosed
US-7812029-B1 such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
CN-101014591-A Novel substituted thiophenecarboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2007-08-08 CN disclosed
EP-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN 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 (5 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-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK3, CLK2, CLK1 ALDH1A1 3885/4885MAPT 890/4885LMNA 3740/4885
US-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC ALDH1A1 910/4885MAPT 341/4885LMNA 4288/4885
US-20240376084-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS SERPINB1, LTA, SERPINC1 ALDH1A1 3127/4885MAPT 4709/4885LMNA 1232/4885
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK2, CLK1, CLK3 ALDH1A1 2781/4885MAPT 341/4885LMNA 3111/4885
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 ALDH1A1 2781/4885MAPT 341/4885LMNA 3111/4885

“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.