SCHEMBL3577632

SCHEMBL3577632

O=C1CCc2ncc([N+](=O)[O-])cc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TYMS P04818 1/20 0.36
IDO1 P14902 1/20 0.35
TDP2 O95551 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
KAT2B Q92831 2/20 0.34
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
TLR9 Q9NR96 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
GAA P10253 1/20 0.33

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
Ethylene SCHEMBL3595933 0.97 ALDH1A1 (0.36) ALDH1A1MAPK1HTTTYMSIDO1
SCHEMBL13341660 0.78 ALDH1A1 (0.43) ALDH1A1MAPK1HTTIDO1MEN1
SCHEMBL5582661 0.78 CCNA2 (0.46) ALDH1A1MAPK1HTTIDO1MEN1
SCHEMBL6210831 0.77 ALDH1A1 (0.45) ALDH1A1MAPK1HTTIDO1MEN1
SCHEMBL5457968 0.74 ALDH1A1 (0.38) ALDH1A1MAPK1HTTIDO1MEN1
SCHEMBL6776635 0.73 RXFP1 (0.40) ALDH1A1MAPK1HTTIDO1MEN1
SCHEMBL6772199 0.73 ALDH1A1 (0.37) ALDH1A1MAPK1HTTTYMSIDO1
SCHEMBL30831356 0.73 PNMT (0.56) ALDH1A1MAPK1HTTIDO1MAPT
SCHEMBL3822440 0.73 PNMT (0.56) ALDH1A1MAPK1HTTIDO1MAPT
Hydrochloric Acid SCHEMBL20492857 0.72 PNMT (0.55) ALDH1A1MAPK1HTTIDO1ADRA2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
US-9162983-B2 Reactivators of organophosphorous inhibited acetylcholinesterase SOUTHWEST RESEARCH INSTITUTE (US) 2015-10-20 US disclosed
US-9162983-B2 Reactivators of organophosphorous inhibited acetylcholinesterase SOUTHWEST RESEARCH INSTITUTE (US) 2015-10-20 US disclosed
US-9162983-B2 Reactivators of organophosphorous inhibited acetylcholinesterase SOUTHWEST RESEARCH INSTITUTE (US) 2015-10-20 US disclosed
US-20140350262-A1 Reactivators Of Organophosphorous Inhibited Acetylcholinesterase SOUTHWEST RESEARCH INSTITUTE (US) 2014-11-27 US disclosed
US-20140350262-A1 Reactivators Of Organophosphorous Inhibited Acetylcholinesterase SOUTHWEST RESEARCH INSTITUTE (US) 2014-11-27 US disclosed
US-20140350262-A1 Reactivators Of Organophosphorous Inhibited Acetylcholinesterase SOUTHWEST RESEARCH INSTITUTE (US) 2014-11-27 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
US-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2007-09-27 US disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 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 (4 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-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 ALDH1A1 306/4885MAPK1 1542/4885HTT 3645/4885
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 ALDH1A1 1265/4885MAPK1 1154/4885HTT 3273/4885
US-20140350262-A1 Reactivators Of Organophosphorous Inhibited Acetylcholinesterase ACHE, BCHE, CHAT ALDH1A1 731/4885MAPK1 4376/4885HTT 3811/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 ALDH1A1 3576/4885MAPK1 404/4885HTT 1429/4885

“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.