SCHEMBL6315906

SCHEMBL6315906

CCOC(=O)C1CCN(C(=O)/C=C/c2c(-c3cccc(Br)c3)cc(Sc3cc(-c4cccc(Br)c4)c(/C=C/C(=O)N4CCC(C(=O)OCC)CC4)c(Cl)c3Cl)c(Cl)c2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
POLB P06746 2/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
ENPP2 Q13822 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.41
TSHR P16473 3/20 0.41
HTT P42858 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41

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
SCHEMBL6318327 0.87 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6201623 0.86 RAB9A (0.47) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6196589 0.83 ITGB2 (0.53) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6196464 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6317511 0.81 LGMN (0.43) SMN1; SMN2NPC1RAB9AKDM4EPOLB
SCHEMBL6198997 0.81 RAB9A (0.47) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6317608 0.81 RAB9A (0.48) NPC1RAB9AKDM4EPOLBITGB2
SCHEMBL6315913 0.79 ITGAL (0.54) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6567825 0.79 ITGAL (0.54) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6312345 0.77 ITGAL (0.34) SMN1; SMN2NPC1RAB9APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM SMN1; SMN2 3657/4885NPC1 1382/4885RAB9A 2366/4885

“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.