SCHEMBL17618792

SCHEMBL17618792

O=C(Nc1ccc(Oc2ccccc2)cc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ PDGFRB P09619 2/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.43
▸ USP2 O75604 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ IDH2 P48735 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ BRAF P15056 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ TNNI3K Q59H18 1/20 0.39
▸ TRPV1 Q8NER1 3/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CDK6 Q00534 1/20 0.38

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
SCHEMBL17618348 0.93 IDH2 (0.45) CA2CA9FAAHLMNAIDH2
SCHEMBL17618796 0.89 MEN1 (0.45) USP2LMNAIDH2SMN1; SMN2HSD17B10
SCHEMBL17618783 0.89 MEN1 (0.47) USP2LMNAIDH2SMN1; SMN2HSD17B10
SCHEMBL17618902 0.88 CA2 (0.42) CA2CA9USP2LMNAIDH2
SCHEMBL17618906 0.88 CA2 (0.42) CA2CA9USP2LMNAIDH2
SCHEMBL19699081 0.88 IDH2 (0.46) CA2CA9FAAHLMNAIDH2
SCHEMBL17618807 0.87 PLG (0.44) CA2CA9LMNAIDH2SMN1; SMN2
SCHEMBL17618817 0.87 CA2 (0.41) CA2CA9LMNAIDH2GAA
SCHEMBL16250003 0.87 CA2 (0.42) CA2CA9IDH2
SCHEMBL17618793 0.87 NPY2R (0.43) CA2CA9HRH3LMNAIDH2

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 9 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-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-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-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
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 4430/4885PDGFRB 2694/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885PDGFRB 2582/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885PDGFRB 2582/4885

“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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