SCHEMBL17624670

SCHEMBL17624670

CCN1CCCN(C(=O)Nc2ccc(C(=N)NCCN)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ PLG P00747 2/20 0.38
▸ PLAU P00749 2/20 0.38
▸ PLAT P00750 2/20 0.38
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ RAF1 P04049 4/20 0.35
▸ BRAF P15056 4/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ CA12 O43570 1/20 0.33

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
SCHEMBL17624274 0.90 CA2 (0.38) CA2CA9PLGPLAUPLAT
SCHEMBL19670249 0.87 CA2 (0.42) CA2CA9PLGPLAUPLAT
SCHEMBL19365749 0.86 CA2 (0.42) CA2CA9PLGPLAUPLAT
SCHEMBL19706277 0.86 CA2 (0.39) CA2CA9PLGPLAUPLAT
SCHEMBL19365573 0.82 CA2 (0.39) CA2CA9CHRM4CHRM5CHRM1
SCHEMBL19670123 0.80 TRPA1 (0.37) CA2CA9CHRM4CHRM5CHRM1
SCHEMBL19670366 0.80 NAMPT (0.42) CA2CA9CHRM4CHRM5CHRM1
SCHEMBL19365807 0.79 CA2 (0.38) CA2CA9ITGB3ITGA2BNAMPT
SCHEMBL17618887 0.79 CA2 (0.38) CA2CA9ITGB3ITGA2BNAMPT
SCHEMBL19670349 0.79 CA2 (0.38) CA2CA9ITGB3ITGA2BNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4636/4885CA9 4430/4885PLG 1070/4885

“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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