SCHEMBL21841336

SCHEMBL21841336

CN1CCCN(C(=O)Nc2ccc(CNC(=O)CCCCCNC(=O)CCCCC3SCC4NC(=O)NC43)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.48
▸ ITGA4 P13612 2/20 0.48
▸ CDK8 P49336 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.44
▸ WDR5 P61964 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ HSPA8 P11142 1/20 0.42
▸ GIGYF2 Q6Y7W6 1/20 0.42
▸ PADI6 Q6TGC4 1/20 0.41
▸ GBA1 P04062 1/20 0.41
▸ TLR2 O60603 1/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ PSMD11 O00231 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ RNF168 Q8IYW5 1/20 0.39
▸ EGFR P00533 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
SCHEMBL19669552 0.94 ITGB1 (0.47) ITGB1ITGA4CDK8SLC6A3WDR5
SCHEMBL19361185 0.86 ITGB1 (0.46) ITGB1ITGA4CDK8SLC6A3WDR5
SCHEMBL19365793 0.86 ITGB1 (0.46) ITGB1ITGA4CDK8SLC6A3WDR5
SCHEMBL19361184 0.86 ITGB1 (0.46) ITGB1ITGA4CDK8SLC6A3WDR5
SCHEMBL19365797 0.86 TP53 (0.38) CA2CA9
SCHEMBL19670273 0.80 CDK8 (0.46) ITGB1ITGA4CDK8SLC6A3WDR5
SCHEMBL19365540 0.79 CA2 (0.38) CA2CA9
SCHEMBL17624649 0.76 CA12 (0.49) ITGB1ITGA4CDK8WDR5CA12
SCHEMBL16249966 0.76 CA12 (0.49) ITGB1ITGA4CDK8WDR5CA12
SCHEMBL19365477 0.75 CDK8 (0.45) ITGB1ITGA4CDK8SLC6A3WDR5

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — 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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 ITGB1 4637/4885ITGA4 4813/4885CDK8 530/4885

“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.

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