SCHEMBL6312339

SCHEMBL6312339

C=C(C(=O)N1CC=CCC1)c1ccc(Sc2cccc(Br)c2)c(Cl)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL6317609 0.84 ITGAL (0.43) LMNANPSR1ALDH1A1ITGB2ICAM1
SCHEMBL6308747 0.82 NOTUM (0.39) ALDH1A1ITGB2ICAM1ITGAL
SCHEMBL6311952 0.79 NOTUM (0.41) ITGB2ICAM1ITGAL
SCHEMBL6316869 0.79 PNP (0.34) LMNANPSR1L3MBTL1ALDH1A1
SCHEMBL6568044 0.78 ITGAL (0.49) ITGB2ICAM1ITGAL
SCHEMBL6312354 0.78 ITGAL (0.49) ITGB2ICAM1ITGAL
SCHEMBL6315904 0.77 SMN1; SMN2 (0.45) TSHRSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6195506 0.75 PNP (0.32) NPC1LMNARAB9AHPGDNPSR1
SCHEMBL6318620 0.73 ITGAL (0.43) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL6308942 0.69 NOTUM (0.43) RAB9AL3MBTL3L3MBTL1ALDH1A1ITGB2

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-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 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
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 NPC1 1382/4885LMNA 2599/4885RAB9A 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.