SCHEMBL20550554

SCHEMBL20550554

O=C(Nc1ncc(OCC(O)CO)cn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.35
▸ CPT2 P23786 2/20 0.35
▸ CPT1A P50416 2/20 0.35
▸ CPT1B Q92523 1/20 0.35
▸ IDH2 P48735 4/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ KCNJ6 P48051 1/20 0.34
▸ KCNJ5 P48544 1/20 0.34
▸ KCNJ3 P48549 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL17769613 1.00 KIF11 (0.35) KIF11CPT2CPT1ACPT1BIDH2
SCHEMBL17778505 1.00 KIF11 (0.35) KIF11CPT2CPT1ACPT1BIDH2
SCHEMBL17769742 0.96 KDM4E (0.34) CPT2CPT1ACPT1BLMNAHSD17B10
SCHEMBL17778465 0.96 KDM4E (0.34) CPT2CPT1ACPT1BLMNAHSD17B10
SCHEMBL20550606 0.96 KDM4E (0.34) CPT2CPT1ACPT1BLMNAHSD17B10
SCHEMBL20550521 0.92 CPT2 (0.36) KIF11CPT2CPT1ACPT1BTRPV1
SCHEMBL17778507 0.92 CPT2 (0.36) KIF11CPT2CPT1ACPT1BTRPV1
SCHEMBL17778375 0.92 CPT2 (0.36) KIF11CPT2CPT1ACPT1BTRPV1
SCHEMBL17769580 0.90 KCNJ6 (0.35) KIF11CPT2CPT1ACPT1BIDH2
SCHEMBL17778509 0.90 KCNJ6 (0.35) KIF11CPT2CPT1ACPT1BIDH2

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 KIF11 2817/4885CPT2 84/4885CPT1A 164/4885

“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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