SCHEMBL7797418

SCHEMBL7797418

Cc1c(C(N)=O)sc2cncc(Oc3ccc(N4CCOCC4)cc3)c12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SELE P16581 14/20 0.55
ICAM1 P05362 13/20 0.55
CCNC P24863 4/20 0.43
CDK8 P49336 4/20 0.43
VCAM1 P19320 4/20 0.43
ACVR1 Q04771 1/20 0.41
CSF1R P07333 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
LRRK2 Q5S007 1/20 0.39

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
SCHEMBL7791212 0.87 SELE (0.65) SELEICAM1CCNCCDK8VCAM1
SCHEMBL7255106 0.81 ICAM1 (0.64) SELEICAM1
SCHEMBL7053701 0.81 ICAM1 (0.58) SELEICAM1CCNCCDK8VCAM1
SCHEMBL7052567 0.81 CDK8 (0.58) SELEICAM1CCNCCDK8VCAM1
SCHEMBL7053173 0.80 IKBKB (0.45) SELEICAM1CDK8
SCHEMBL7797428 0.79 ICAM1 (0.56) SELEICAM1CCNCCDK8VCAM1
SCHEMBL7255489 0.79 ICAM1 (0.59) SELEICAM1CCNCCDK8VCAM1
SCHEMBL7801846 0.78 CCNC (0.60) SELEICAM1CCNCCDK8VCAM1
SCHEMBL7797355 0.78 ICAM1 (0.60) SELEICAM1CCNCCDK8VCAM1
SCHEMBL7931909 0.77 ICAM1 (0.62) SELEICAM1CCNCCDK8VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM SELE 16/4885ICAM1 1/4885CCNC 1780/4885

“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.