SCHEMBL2432269

SCHEMBL2432269

CCOC(=O)Cc1ccc([N+](=O)[O-])c(SCc2ccc(OC)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.48
GSTM2 P28161 2/20 0.48
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
PTPN1 P18031 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39

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
SCHEMBL7421550 0.90 TP53 (0.47) GSTP1GSTM2MAPK1MAPTSMN1; SMN2
SCHEMBL2434641 0.82 KMT2A (0.44) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL27578588 0.80 BCL9 (0.49) GSTP1GSTM2MAPK1MAPTSMN1; SMN2
SCHEMBL7002851 0.78 KMT2A (0.50) MAPK1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL13457196 0.78 ALDH1A1 (0.43) MAPK1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL6859560 0.76 LMNA (0.45) MAPK1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL26264596 0.76 LMNA (0.50) MAPK1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL29848981 0.75 ALDH1A1 (0.52) MAPK1MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5091684 0.75 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
SCHEMBL19783798 0.75 ALDH1A1 (0.52) MAPK1MAPTSMN1; SMN2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 GSTP1 2758/4885GSTM2 2422/4885MAPK1 485/4885

“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.