SCHEMBL4848009

SCHEMBL4848009

COC(=O)c1ccc(CC23CCCN2C(=O)N(c2cc(Cl)c(O)c(Cl)c2)C3=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHKA P35790 1/20 0.35
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL4849069 0.89 LMNA (0.44) LMNARAB9ANPC1HTTPOLB
SCHEMBL64210 0.61 CHKA (0.58) LMNARAB9ANPC1HTTPOLB
SCHEMBL2873979 0.60 CHKA (0.72) ALDH1A1CHKASMN1; SMN2MAPK1MAPT
SCHEMBL20210248 0.60 CHKA (0.77) ALDH1A1L3MBTL1CHKASMN1; SMN2MAPK1
SCHEMBL282150 0.60 KDM4E (0.63) LMNANPC1HTTPOLBALDH1A1
SCHEMBL13089087 0.60 LOXL2 (0.50) LMNARAB9ANPC1HTTMAPT
SCHEMBL11646709 0.59 NPSR1 (0.60) LMNARAB9ANPC1HTTSMN1; SMN2
SCHEMBL15033015 0.59 MEN1 (0.58) LMNAPOLBALDH1A1L3MBTL1CHKA
SCHEMBL228900 0.59 CHKA (0.71) LMNAALDH1A1CHKAGLASMN1; SMN2
SCHEMBL1335735 0.59 CHKA (0.71) LMNAALDH1A1CHKAGLASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2005-07-07 US disclosed
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP disclosed
EP-1307455-A2 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-05-07 EP disclosed
WO-2001030781-A2 INHIBITORS OF αLβ2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-05-03 WO 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-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 LMNA 482/4885RAB9A 1967/4885NPC1 1774/4885

“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.