SCHEMBL16785536

SCHEMBL16785536

Cc1cc(OCC(O)CO)nc(NC(=O)N2CCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 6/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.33
▸ CPT2 P23786 1/20 0.32
▸ CPT1A P50416 1/20 0.32
▸ CPT1B Q92523 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GPR52 Q9Y2T5 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ GRIN1 Q05586 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
SCHEMBL16775871 0.91 EGFR (0.33) RAF1KMOTRPV3HSD17B10
SCHEMBL17655329 0.88 FGFR4 (0.39) RAF1CA2CA9TRPV3PRMT5
SCHEMBL16785561 0.86 FGFR4 (0.36) RAF1CA2CA9KMOTRPV3
SCHEMBL17655339 0.85 FGFR4 (0.39) RAF1CA2CA9PRMT5WDR77
SCHEMBL12654420 0.84 RAF1 (0.35) RAF1CA2CA9KMOTRPV3
SCHEMBL12653830 0.84 RAF1 (0.35) RAF1CA2CA9KMOTRPV3
SCHEMBL16775820 0.80 PHGDH (0.47) KMOADORA2A
SCHEMBL16775873 0.80 CA9 (0.39) RAF1CA9KMOADORA2A
SCHEMBL16775868 0.79 CA2 (0.43) RAF1CA2CA9KMOADORA2A
SCHEMBL17624556 0.79 RAF1 (0.37) RAF1CA2CA9FFAR4LMNA

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAF1 2875/4885CA2 4253/4885CA9 4248/4885

“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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