SCHEMBL16785533

SCHEMBL16785533

NCCCCCC(=O)NCc1cccc(NC(=O)N2CCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ FAAH O00519 2/20 0.36
▸ EPHB4 P54760 2/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 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
SCHEMBL16785535 0.93 EPHX2 (0.38) CA2CA9FAAHEPHB4HDAC3
SCHEMBL19670572 0.85 LMNA (0.35) CA2CA9EPHB4HDAC3HDAC1
SCHEMBL16776432 0.85 CA2 (0.40) CA2CA9FAAHEPHB4BACE1
SCHEMBL16776322 0.84 NPC1 (0.44) CA2CA9KDRKIT
SCHEMBL16776329 0.81 FYN (0.42) CA2CA9FAAHKDR
SCHEMBL16776302 0.81 POLB (0.43) FAAHEPHB4LIPGCHRM3
SCHEMBL16776179 0.80 CA2 (0.45) CA2CA9FAAHHDAC1BACE1
SCHEMBL16776332 0.80 CNR2 (0.51) FAAH
SCHEMBL16785648 0.80 EPHB4 (0.44) CA2CA9FAAHEPHB4
SCHEMBL19365865 0.80 TSHR (0.36) CA2CA9FAAHEPHB4HDAC3

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 4248/4885FAAH 977/4885

“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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