SCHEMBL20550638

SCHEMBL20550638

O=C(Nc1cncc(OCC(O)CO)n1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCC[C@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 4/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ CPT2 P23786 2/20 0.34
▸ CPT1A P50416 2/20 0.34
▸ CPT1B Q92523 1/20 0.34
▸ KCNJ6 P48051 1/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ IDH2 P48735 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ IRAK1 P51617 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALDH1A1 P00352 1/20 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
SCHEMBL20550636 1.00 RAF1 (0.35) RAF1KIF11CPT2CPT1ACPT1B
SCHEMBL17778497 0.96 RAF1 (0.36) RAF1CPT2CPT1ACPT1BKDM4E
SCHEMBL20550380 0.96 RAF1 (0.36) RAF1CPT2CPT1ACPT1BKDM4E
SCHEMBL20550593 0.96 RAF1 (0.36) RAF1CPT2CPT1ACPT1BKDM4E
SCHEMBL17769729 0.93 KIF11 (0.36) RAF1KIF11CPT2CPT1ACPT1B
SCHEMBL17769731 0.93 KIF11 (0.36) RAF1KIF11CPT2CPT1ACPT1B
SCHEMBL17769566 0.93 KIF11 (0.36) RAF1KIF11CPT2CPT1ACPT1B
SCHEMBL17769785 0.92 TRPV1 (0.35) RAF1KIF11CPT2CPT1ACPT1B
SCHEMBL20550333 0.92 TRPV1 (0.35) RAF1KIF11CPT2CPT1ACPT1B
SCHEMBL17778464 0.92 TRPV1 (0.35) RAF1KIF11CPT2CPT1ACPT1B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 — — 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAF1 2196/4885KIF11 2817/4885CPT2 84/4885

“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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