SCHEMBL5160127

SCHEMBL5160127

CCOC(=O)Cc1ccc(Nc2nc3ccccc3o2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
ITGB1 P05556 4/20 0.53
ITGA4 P13612 4/20 0.53
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
USP2 O75604 1/20 0.48
CSNK1D P48730 1/20 0.47
TP53 P04637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GALK1 P51570 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL5161031 0.86 MAPT (0.60) MAPTITGB1ITGA4NPC1RAB9A
SCHEMBL2433790 0.85 NPC1 (0.59) MAPTITGB1ITGA4NPC1RAB9A
SCHEMBL14591725 0.83 NPC1 (0.54) MAPTITGB1ITGA4NPC1RAB9A
SCHEMBL14592232 0.83 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5443796 0.83 MAPT (0.57) MAPTITGB1ITGA4NPC1RAB9A
SCHEMBL2435039 0.83 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2432871 0.80 NPC1 (0.51) MAPTITGB1ITGA4NPC1RAB9A
SCHEMBL2434527 0.78 NPC1 (0.55) MAPTITGB1ITGA4NPC1RAB9A
SCHEMBL27596616 0.78 NPC1 (0.64) MAPTITGB1ITGA4NPC1RAB9A
SCHEMBL14592247 0.78 ITGB1 (0.54) MAPTITGB1ITGA4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100471838-C VLA-4 inhibitors DAIICHI SEIYAKU CO (JP) 2009-03-25 CN disclosed
CN-100396680-C Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2008-06-25 CN disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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
CN-1699363-A Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2005-11-23 CN disclosed
CN-1483024-A Vla-4 inhibitors ��һ��������ҩ��ʽ���� 2004-03-17 CN 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 MAPT 2200/4885ITGB1 9/4885ITGA4 3/4885

“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.