SCHEMBL17769296

SCHEMBL17769296

O=C(Nc1ccnc(OC[C@H](O)CO)c1)N1c2nc(-c3cccc(C(F)(F)F)c3)c(Cl)cc2N2CCC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TRPV1 Q8NER1 5/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ NPY2R P49146 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
SCHEMBL20720919 1.00 RAF1 (0.37) RAF1KDM4EUSP2LMNAALOX15
SCHEMBL17778595 1.00 RAF1 (0.37) RAF1KDM4EUSP2LMNAALOX15
SCHEMBL19689799 0.96 RAF1 (0.38) RAF1KDM4EUSP2LMNAALOX15
SCHEMBL17767972 0.96 RAF1 (0.38) RAF1KDM4EUSP2LMNAALOX15
SCHEMBL17778714 0.96 RAF1 (0.38) RAF1KDM4EUSP2LMNAALOX15
SCHEMBL19689800 0.96 RAF1 (0.38) RAF1KDM4EUSP2LMNAALOX15
SCHEMBL20720937 0.91 TRPV1 (0.37) RAF1KDM4ETRPV1MCHR1CNR2
SCHEMBL20720982 0.91 RAF1 (0.35) RAF1KDM4EUSP2LMNAALOX15
SCHEMBL20733182 0.91 RAF1 (0.35) RAF1KDM4EUSP2LMNAALOX15
SCHEMBL17769272 0.91 RAF1 (0.35) RAF1KDM4EUSP2LMNAALOX15

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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
EP-3221322-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
WO-2016079711-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAF1 2196/4885KDM4E 1291/4885USP2 329/4885

“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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