SCHEMBL2432703

SCHEMBL2432703

O=C(O)Cc1ccc(Nc2nc3ccc(F)cc3s2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 4/20 0.57
ITGA4 P13612 4/20 0.57
MAPT P10636 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 5/20 0.50
WNT3A P56704 2/20 0.49
KMT2A Q03164 5/20 0.49
HPGD P15428 4/20 0.49
HTT P42858 4/20 0.49
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 4/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 3/20 0.49
LRRK2 Q5S007 2/20 0.49
MCL1 Q07820 2/20 0.49
TNF P01375 1/20 0.49
NR2F2 P24468 1/20 0.49
KLF5 Q13887 1/20 0.49
NOD1 Q9Y239 1/20 0.49

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
SCHEMBL2433405 0.91 ITGB1 (0.57) ITGB1ITGA4MAPTSMN1; SMN2NPC1
SCHEMBL2432249 0.89 ITGB1 (0.55) ITGB1ITGA4MAPTSMN1; SMN2NPC1
SCHEMBL14592257 0.89 MAPT (0.54) ITGB1ITGA4MAPTSMN1; SMN2NPC1
SCHEMBL14591865 0.88 ITGB1 (0.52) ITGB1ITGA4MAPTSMN1; SMN2NPC1
SCHEMBL2438239 0.87 ITGB1 (0.57) ITGB1ITGA4MAPTSMN1; SMN2NPC1
SCHEMBL2429122 0.85 ITGB1 (0.54) ITGB1ITGA4MAPTSMN1; SMN2NPC1
SCHEMBL14592274 0.80 ITGB1 (0.54) ITGB1ITGA4MAPTSMN1; SMN2NPC1
SCHEMBL14591883 0.79 ITGB1 (0.52) ITGB1ITGA4MAPTSMN1; SMN2NPC1
SCHEMBL14626749 0.79 DYRK1A (0.56) ITGB1ITGA4MAPTSMN1; SMN2NPC1
SCHEMBL2435300 0.79 MAPT (0.50) ITGB1ITGA4MAPTSMN1; SMN2NPC1

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 ITGB1 5/4885ITGA4 4/4885MAPT 4631/4885

“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.