SCHEMBL5067751

SCHEMBL5067751

CC(=O)NC(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL990297 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL5603398 0.81 KMT2A (0.60) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL4167897 0.81 KMT2A (0.54) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL43494 0.80 CYP2C19 (0.57) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL2494960 0.79 KMT2A (0.59) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL7329851 0.78 TSHR (0.57) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL21887012 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1MAPTHTT
Ethylene SCHEMBL11190134 0.77 CYP2C19 (0.54) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL9667193 0.77 KMT2A (0.51) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL10815212 0.77 CYP2C19 (0.57) ALDH1A1KMT2AMEN1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-09-25 US disclosed
CN-1918133-A Alpha-4 integrin mediated cell adhesion inhibitors for the treatment or prevention of inflammatory diseases TANABE SEIYAKU CO (JP) 2007-02-21 CN disclosed
EP-0280156-B1 PROCESS FOR THE PREPARATION OF ACETOACETYLARYLAMIDES-HETEROARYLAMIDES RESPECTIVELY OF DEACTIVED AROMATIC COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-11 EP disclosed
EP-0280156-A2 Process for the preparation of acetoacetylarylamides-heteroarylamides respectively of deactived aromatic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-31 EP 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 (1 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-20080234301-A1 Alpha-4 Integrin Mediated Cell Adhesion Inhibitors for the Treatment or Prevention of Inflammatory Diseases ITGB4, ITGA4, ICAM1 ALDH1A1 431/4885KMT2A 4139/4885MEN1 3946/4885

“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.