SCHEMBL17624524

SCHEMBL17624524

O=C(Nc1cccc(OC[C@H](O)CO)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 6/20 0.36
▸ GPR52 Q9Y2T5 1/20 0.35
▸ RAF1 P04049 4/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ RPS6KB1 P23443 2/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ PHGDH O43175 2/20 0.33
▸ FFAR4 Q5NUL3 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
SCHEMBL16754360 0.93 RAF1 (0.36) RAF1KDM1AMAOAMAOBCA2
SCHEMBL16754334 0.93 RAF1 (0.36) RAF1KDM1AMAOAMAOBCA2
SCHEMBL16754361 0.93 RAF1 (0.36) RAF1KDM1AMAOAMAOBCA2
SCHEMBL17624555 0.92 KDM1A (0.35) GPR52RAF1KDM1AMAOAMAOB
SCHEMBL19689668 0.91 GPR52 (0.41) KIF18AGPR52RAF1CA2CA9
SCHEMBL16754530 0.90 CA2 (0.36) GPR52RAF1KDM1AMAOAMAOB
SCHEMBL16754528 0.90 CA2 (0.36) GPR52RAF1KDM1AMAOAMAOB
SCHEMBL16754531 0.90 CA2 (0.36) GPR52RAF1KDM1AMAOAMAOB
SCHEMBL20550338 0.90 KIF18A (0.35) KIF18ARAF1RPS6KB1FFAR4
SCHEMBL20550336 0.90 KIF18A (0.35) KIF18ARAF1RPS6KB1FFAR4

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 7 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-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 KIF18A 2692/4885GPR52 4052/4885RAF1 2459/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KIF18A 2813/4885GPR52 3764/4885RAF1 2875/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KIF18A 2813/4885GPR52 3764/4885RAF1 2875/4885

“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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