SCHEMBL17624274

SCHEMBL17624274

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ PLG P00747 2/20 0.37
▸ PLAU P00749 2/20 0.37
▸ PLAT P00750 2/20 0.37
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ RAF1 P04049 10/20 0.35
▸ BRAF P15056 10/20 0.35
▸ PTPRB P23467 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ RORC P51449 3/20 0.33
▸ NAMPT P43490 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
SCHEMBL17624670 0.90 CA2 (0.39) CA2CA9PLGPLAUPLAT
SCHEMBL19670366 0.89 NAMPT (0.42) CA2CA9CHRM4CHRM5CHRM1
SCHEMBL19699078 0.87 NAMPT (0.42) CA2CA9CHRM4CHRM5CHRM1
SCHEMBL19365749 0.84 CA2 (0.42) CA2CA9PLGPLAUPLAT
SCHEMBL19670249 0.82 CA2 (0.42) CA2CA9PLGPLAUPLAT
SCHEMBL19365570 0.81 CA2 (0.37) CA2CA9RAF1BRAFPTPRB
SCHEMBL17618886 0.81 CA2 (0.37) CA2CA9RAF1BRAFPTPRB
SCHEMBL19670371 0.80 NAMPT (0.44) CA2CA9PTPRBMAPTRORC
SCHEMBL19365573 0.79 CA2 (0.39) CA2CA9CHRM4CHRM5CHRM1
SCHEMBL19670123 0.78 TRPA1 (0.37) CA2CA9CHRM4CHRM5CHRM1

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 5 patents. 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
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
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 (3 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
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885PLG 1237/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885PLG 1237/4885

“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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