SCHEMBL6315904

SCHEMBL6315904

C=C(C(=O)N1CCC(C(=O)OCC)CC1)c1ccc(Sc2cccc(Br)c2)c(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6201628 0.86 LGMN (0.47) SMN1; SMN2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL6318322 0.85 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL6196585 0.83 ITGB2 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL6317504 0.82 LGMN (0.44) SMN1; SMN2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL6567825 0.81 ITGAL (0.54) SMN1; SMN2ALDH1A1KDM4EGAAPOLB
SCHEMBL6315913 0.81 ITGAL (0.54) SMN1; SMN2ALDH1A1KDM4EGAAPOLB
SCHEMBL6196460 0.80 ITGB2 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1HSD17B10
SCHEMBL6317609 0.80 ITGAL (0.43) MEN1KMT2AALDH1A1CYP2C19
SCHEMBL6312339 0.77 NPC1 (0.32) SMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL6197668 0.76 KMT2A (0.48) SMN1; SMN2MEN1KMT2AALDH1A1CYP2C19

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 5 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-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP 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 3657/4885MEN1 2594/4885KMT2A 4094/4885

“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.