SCHEMBL2434641

SCHEMBL2434641

CCOC(=O)Cc1ccc(N)c(SCc2ccc(OC)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 3/20 0.43
ALDH1A1 P00352 8/20 0.42
GAA P10253 3/20 0.42
GFER P55789 1/20 0.42
MAPT P10636 4/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HDAC3 O15379 1/20 0.41
NCOR1 O75376 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL7427323 0.89 ALDH1A1 (0.55) TP53ALDH1A1GAAGFERMAPT
SCHEMBL2432269 0.82 GSTP1 (0.48) KMT2AMEN1TP53ALDH1A1MAPT
SCHEMBL27578585 0.79 BCL9 (0.41) KMT2ATP53ALDH1A1GAAMAPT
SCHEMBL924496 0.77 KMT2A (0.63) KMT2AMEN1ALDH1A1GAAKLK7
SCHEMBL2432662 0.76 HTT (0.50) KMT2AMEN1TP53ALDH1A1GAA
SCHEMBL670079 0.75 MAPT (0.41) KMT2AMEN1TP53ALDH1A1GAA
SCHEMBL13594698 0.75 ALDH1A1 (0.56) ALDH1A1GAAGFERMAPTCYP3A4
SCHEMBL118588 0.74 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1GAAGFER
SCHEMBL31287243 0.74 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1GAAGFER
SCHEMBL13457191 0.74 CYP1A2 (0.45) KMT2AMEN1GAAMAPTHPGD

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 KMT2A 344/4885MEN1 1582/4885TP53 3952/4885

“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.