SCHEMBL2435534

SCHEMBL2435534

Cc1ccccc1Nc1nc2ccc(CC(=O)O)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.59
NPC1 O15118 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 3/20 0.49
GAA P10253 1/20 0.48
CSNK1D P48730 2/20 0.47
KMT2A Q03164 5/20 0.46
LCK P06239 2/20 0.46
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 5/20 0.45
MEN1 O00255 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 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
SCHEMBL14626712 0.91 RAB9A (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL14591712 0.88 RAB9A (0.55) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2435642 0.87 SMN1; SMN2 (0.54) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7432860 0.84 MAPT (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2438239 0.81 ITGB1 (0.57) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2429122 0.77 ITGB1 (0.54) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2432249 0.76 ITGB1 (0.55) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7428151 0.76 CSF1R (0.50) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL14591718 0.76 CSNK1D (0.48) RAB9ANPC1SMN1; SMN2KDM4ECSNK1D
SCHEMBL31716343 0.76 LDHA (0.56) RAB9ANPC1SMN1; SMN2LMNAKDM4E

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 RAB9A 2530/4885NPC1 1278/4885SMN1; SMN2 3702/4885

“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.