SCHEMBL5060968

SCHEMBL5060968

Nc1ccc(C2=C(I)C(=O)NC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.40
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
TDP2 O95551 1/20 0.38
BRD4 O60885 1/20 0.35
GSK3B P49841 4/20 0.35
CHEK1 O14757 1/20 0.35
WEE1 P30291 1/20 0.35
GSK3A P49840 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL10694749 0.79 PTGS2 (0.56) PTGS2ALDH1A1GSK3BHSD17B10
SCHEMBL3791544 0.76 PTGS2 (0.46) PTGS2CYP3A4TDP1ALDH1A1TP53
SCHEMBL29042770 0.76 KIF11 (0.42) PTGS2TDP2
SCHEMBL27936511 0.73 PTGS2 (0.48) PTGS2GSK3B
SCHEMBL21764396 0.72 CYP3A4 (0.43) PTGS2CYP3A4TDP1ALDH1A1TP53
SCHEMBL30585016 0.72 PTGS2 (0.39) PTGS2CYP3A4TDP1ALDH1A1TP53
SCHEMBL4195826 0.65 ALDH1A1 (0.69) CYP3A4TDP1ALDH1A1TP53TAAR1
SCHEMBL22409597 0.64 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1TP53BRD4
SCHEMBL29024801 0.64 ACHE (0.46) CYP3A4TDP1ALDH1A1TP53TDP2
SCHEMBL7193397 0.63 PTGS2 (0.48) PTGS2GSK3B

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-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use BERGER MARKUS 2008-07-10 US claimed
US-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use BERGER MARKUS 2008-07-10 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-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK PTGS2 1116/4885CYP3A4 1817/4885TDP1 4191/4885

“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.