SCHEMBL2429129

SCHEMBL2429129

CCOC(=O)Cc1ccc(NC(=O)c2cn(C)c3ccccc23)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.55
ITGA4 P13612 9/20 0.55
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
MAOB P27338 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
NR4A2 P43354 1/20 0.43
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL71948 0.90 RAB9A (0.48) ITGB1ITGA4MAPTPOLBMAOB
SCHEMBL72718 0.87 MAPT (0.57) ITGB1ITGA4MAPTPOLBLMNA
SCHEMBL2431865 0.87 ITGB1 (0.57) ITGB1ITGA4MAPTPOLBMAOB
SCHEMBL14505040 0.87 MAPT (0.45) ITGB1ITGA4MAPTPOLBMAOB
SCHEMBL3579447 0.86 ITGB1 (0.56) ITGB1ITGA4MAPTMAOBLMNA
SCHEMBL27596557 0.84 ITGB1 (0.52) ITGB1ITGA4MAPTPOLBMAOB
SCHEMBL14591768 0.84 ITGB1 (0.53) ITGB1ITGA4MAPTPOLBMAOB
SCHEMBL12327956 0.83 ITGB1 (0.51) ITGB1ITGA4MAPTPOLBMAOB
SCHEMBL2432469 0.82 ALDH1A1 (0.44) ITGB1ITGA4MAPTMAOBLMNA
SCHEMBL92369 0.82 RAB9A (0.64) MAPTPOLBMAOBHDAC1HDAC6

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 12 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
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
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-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 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-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
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
CN-1483024-A Vla-4 inhibitors ��һ��������ҩ��ʽ���� 2004-03-17 CN 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 (2 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
US-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 ITGB1 1987/4885ITGA4 106/4885MAPT 2970/4885

“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.