SCHEMBL5065616

SCHEMBL5065616

Cc1nc(=O)c(-c2ccc([N+](=O)[O-])cc2)c(C)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AR P10275 1/20 0.50
SLC11A2 P49281 1/20 0.47
CCR6 P51684 1/20 0.46
TNKS O95271 3/20 0.46
TNKS2 Q9H2K2 3/20 0.46
PARP1 P09874 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
MMP2 P08253 3/20 0.46
MMP9 P14780 3/20 0.46
MMP8 P22894 3/20 0.46
MMP13 P45452 2/20 0.46
PSD A5PKW4 5/20 0.45
ACHE P22303 1/20 0.44

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
SCHEMBL5068201 0.75 CHEK1 (0.48) TNKSTNKS2PSDPARP2
SCHEMBL7529478 0.72 KDM4E (0.57) MAPTHTTMEN1GAAKMT2A
SCHEMBL9515944 0.72 KDM4E (0.59) MAPTHTTMEN1GAAKMT2A
SCHEMBL6466463 0.72 AR (0.58) MAPTHTTMEN1GAAKMT2A
SCHEMBL6465337 0.72 KMT2A (0.72) MAPTHTTMEN1GAAKMT2A
SCHEMBL6988913 0.72 IMPDH2 (0.56) MAPTHTTMEN1GAAKMT2A
SCHEMBL16429878 0.72 ACHE (0.54) MAPTHTTMEN1GAAKMT2A
SCHEMBL21274904 0.70 ACHE (0.57) MAPTHTTMEN1GAAKMT2A
SCHEMBL3121586 0.70 CA12 (0.56) MAPTHTTMEN1GAAKMT2A
SCHEMBL22126016 0.70 IKBKB (0.59) MAPTHTTMEN1GAAKMT2A

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-1737826-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2007-01-03 EP disclosed
WO-2005075438-A1 ALPHA-4 INTEGRIN MEDIATED CELL ADHESION INHIBITORS FOR THE TREATMENT OR PREVENTION OF INFLAMMATORY DISEASES TANABE SEIYAKU CO., LTD. (JP) 2005-08-18 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 (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 MAPT 2408/4885HTT 4356/4885MEN1 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.