SCHEMBL16776072

SCHEMBL16776072

O=C(Nc1ccccn1)N1CCCNc2ccc(-c3cccc(N4CCC(C(F)(F)F)C4)c3)nc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.42
▸ FGFR4 P22455 1/20 0.38
▸ KARS1 Q15046 2/20 0.38
▸ RPS6KA3 P51812 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ PHGDH O43175 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ FAAH O00519 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MAP3K12 Q12852 1/20 0.34
▸ CLK2 P49760 2/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 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
SCHEMBL16776074 0.92 KARS1 (0.43) VCPKARS1FAAHMAP3K12CLK2
SCHEMBL16776071 0.91 VCP (0.39) VCPFGFR4KARS1TRPV1CLK2
SCHEMBL16776110 0.90 KARS1 (0.39) FGFR4KARS1RPS6KA3RPS6KA2TRPV1
SCHEMBL16776090 0.88 FGFR4 (0.40) VCPFGFR4KARS1RPS6KA2PHGDH
SCHEMBL16776060 0.87 FGFR4 (0.43) VCPFGFR4KARS1RPS6KA3RPS6KA2
SCHEMBL16776079 0.85 SLC5A1 (0.37) VCPKARS1TRPV1CLK2LRRK2
SCHEMBL16775892 0.83 FGFR4 (0.42) FGFR4KARS1RPS6KA3RPS6KA2PHGDH
SCHEMBL16775864 0.82 FGFR4 (0.44) VCPFGFR4RPS6KA3RPS6KA2TRPV1
SCHEMBL16775932 0.82 FGFR4 (0.41) FGFR4RPS6KA3RPS6KA2
SCHEMBL16776473 0.81 FGFR4 (0.42) FGFR4KARS1PHGDHSCN9ATRPV1

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 2 patents. 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
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 VCP 1270/4885FGFR4 1754/4885KARS1 1760/4885

“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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