SCHEMBL19689839

SCHEMBL19689839

O=C(Nc1nccc(OC[C@@H](O)CO)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)c(Cl)cc2N2CC[C@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 4/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.33
▸ IDH1 O75874 2/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ IGF1R P08069 2/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ GPR52 Q9Y2T5 2/20 0.32
▸ BRAF P15056 2/20 0.32

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
SCHEMBL17778491 1.00 RAF1 (0.35) RAF1SCN10AKDM4EALDH1A1CYP2C9
SCHEMBL19689840 1.00 RAF1 (0.35) RAF1SCN10AKDM4EALDH1A1CYP2C9
SCHEMBL17778231 1.00 RAF1 (0.35) RAF1SCN10AKDM4EALDH1A1CYP2C9
SCHEMBL19689827 1.00 RAF1 (0.35) RAF1SCN10AKDM4EALDH1A1CYP2C9
SCHEMBL17769272 0.96 RAF1 (0.35) RAF1SCN10AKDM4EALDH1A1CYP2C9
SCHEMBL20733182 0.96 RAF1 (0.35) RAF1SCN10AKDM4EALDH1A1CYP2C9
SCHEMBL20720982 0.96 RAF1 (0.35) RAF1SCN10AKDM4EALDH1A1CYP2C9
SCHEMBL19689799 0.91 RAF1 (0.38) RAF1SCN10AKDM4EALDH1A1CYP2C9
SCHEMBL17778714 0.91 RAF1 (0.38) RAF1SCN10AKDM4EALDH1A1CYP2C9
SCHEMBL17767972 0.91 RAF1 (0.38) RAF1SCN10AKDM4EALDH1A1CYP2C9

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAF1 2078/4885SCN10A 3199/4885KDM4E 1355/4885

“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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