SCHEMBL16776069

SCHEMBL16776069

O=C(Nc1cccc(C2(C(F)(F)F)N=N2)c1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ FYN P06241 1/20 0.37
▸ KIF18A Q8NI77 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ P2RX1 P51575 1/20 0.37
▸ RAF1 P04049 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KIT P10721 1/20 0.36
▸ BRAF P15056 2/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ KMO O15229 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ RET P07949 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ CDK8 P49336 1/20 0.35

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
SCHEMBL16785639 0.91 NPC1 (0.39) CA2CA9FYNNPC1P2RX1
SCHEMBL16776322 0.90 NPC1 (0.44) CA2CA9FYNNPC1RAF1
SCHEMBL16776329 0.87 FYN (0.42) CA2CA9FYNNPC1RAF1
SCHEMBL16776367 0.85 NPC1 (0.44) CA2CA9FYNNPC1RAF1
SCHEMBL16776321 0.85 FYN (0.44) CA2CA9FYNNPC1RAF1
SCHEMBL16776363 0.85 CYP1A2 (0.49) CA2CA9FYNRAF1MEN1
SCHEMBL16776328 0.85 CA2 (0.41) CA2CA9FYNNPC1P2RX1
SCHEMBL16775824 0.85 HTR2A (0.50) CA2CA9MEN1KMT2AKIT
SCHEMBL16776084 0.84 GRIN2B (0.38) CA2CA9FYNKIF18ANPC1
SCHEMBL16776358 0.84 HTR2C (0.48) FYNMEN1KMT2AKITBRAF

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 CA2 4253/4885CA9 4248/4885FYN 2694/4885

“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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