SCHEMBL2433993

SCHEMBL2433993

Cn1cc(C(=O)Nc2ccc(CC(=O)O)nc2Cl)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.46
MITF O75030 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOB P27338 2/20 0.44
NR4A2 P43354 1/20 0.44
POLB P06746 1/20 0.44
CNR2 P34972 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
CNR1 P21554 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
HDAC3 O15379 1/20 0.42
ITGB1 P05556 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
SCHEMBL14626644 0.91 KMT2A (0.46) LMNAKMT2AMITFALDH1A1MAPT
SCHEMBL14591787 0.89 ALDH1A1 (0.44) LMNAKMT2AMITFALDH1A1MAPT
SCHEMBL2432469 0.87 ALDH1A1 (0.44) LMNAKMT2AMITFALDH1A1MAPT
SCHEMBL2431865 0.80 ITGB1 (0.57) LMNAKMT2AMITFALDH1A1MAPT
SCHEMBL27579971 0.80 HTR2C (0.46) LMNAKMT2AMITFALDH1A1MAPT
SCHEMBL71040 0.78 ITGB1 (0.57) LMNAKMT2AMITFALDH1A1MAPT
SCHEMBL70951 0.77 RAB9A (0.52) LMNAKMT2AMITFALDH1A1MAPT
SCHEMBL72352 0.77 POLB (0.61) LMNAKMT2AALDH1A1MAPTNR4A2
SCHEMBL27596551 0.76 NR4A2 (0.47) LMNAKMT2AMITFALDH1A1MAPT
SCHEMBL2433768 0.76 LMNA (0.50) LMNAKMT2AMITFALDH1A1MAPT

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 7 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
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 LMNA 2852/4885KMT2A 344/4885MITF 2978/4885

“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.