SCHEMBL2432129

SCHEMBL2432129

COC(=O)c1ccc(OCN2C[CH][CH]C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
RAB9A P51151 5/20 0.54
KDM4E B2RXH2 2/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
STS P08842 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL2428990 0.84 KDM4E (0.67) MAPTRAB9AKDM4ECA1CA2
Hydrochloric Acid SCHEMBL5153246 0.83 KDM4E (0.65) MAPTRAB9AKDM4ECA1CA2
SCHEMBL5152173 0.77 MAPT (0.51) MAPTRAB9AKDM4ECA1CA2
SCHEMBL2432393 0.76 MAPT (0.50) MAPTRAB9AKDM4ECA1CA2
SCHEMBL1951546 0.76 MAPT (1.00) MAPTRAB9AKDM4ECA1CA2
SCHEMBL2089311 0.75 KDM4E (0.78) MAPTKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL204175 0.74 MAPT (0.75) MAPTRAB9AKDM4ECA1CA2
SCHEMBL10295156 0.74 MAPT (0.75) MAPTRAB9ACA1CA2NPC1
SCHEMBL2469151 0.74 MAPT (0.89) MAPTRAB9AKDM4ECA1CA2
SCHEMBL14885368 0.74 MAPT (0.64) MAPTRAB9AKDM4ECA1CA2

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
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-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 MAPT 4631/4885RAB9A 2530/4885KDM4E 1271/4885

“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.