SCHEMBL7255106

SCHEMBL7255106

Cc1c(C(N)=O)sc2cncc(Oc3ccc(C(=O)NCCN4CCOCC4)cc3)c12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 4/20 0.64
SELE P16581 4/20 0.64
CD274 Q9NZQ7 6/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HTR1A P08908 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.45
BCL3 P20749 1/20 0.45

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 0.83 SELE (0.65) ICAM1SELEPOLBALDH1A1GAA
SCHEMBL7057292 0.82 SELE (0.83) ICAM1SELE
SCHEMBL7797418 0.81 SELE (0.55) ICAM1SELE
SCHEMBL7050886 0.78 SELE (0.86) ICAM1SELECD274
SCHEMBL7053209 0.78 SELE (1.00) ICAM1SELE
SCHEMBL7052567 0.73 CDK8 (0.58) ICAM1SELE
SCHEMBL7053701 0.73 ICAM1 (0.58) ICAM1SELE
SCHEMBL7931909 0.72 ICAM1 (0.62) ICAM1SELE
SCHEMBL6014113 0.71 RAF1 (0.63) ICAM1SELECD274POLBALDH1A1
SCHEMBL7054270 0.71 SELE (0.77) ICAM1SELEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 US disclosed
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 ICAM1 1/4885SELE 16/4885CD274 291/4885

“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.