SCHEMBL16785535

SCHEMBL16785535

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.38
▸ EPHB4 P54760 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ UBE2M P61081 2/20 0.36
▸ DCUN1D1 Q96GG9 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ FAAH O00519 2/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36

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
SCHEMBL16785533 0.93 CA2 (0.37) EPHB4DRD2DRD3FAAHCA2
SCHEMBL16776322 0.84 NPC1 (0.44) CA2CA9LMNA
SCHEMBL16776432 0.82 CA2 (0.40) EPHB4FAAHCA2CA9
SCHEMBL16776165 0.82 CA2 (0.43) FAAHCA2CA9LMNA
SCHEMBL16776402 0.81 NPC1 (0.42) CA2CA9
SCHEMBL19670572 0.81 LMNA (0.35) EPHB4CA2CA9HDAC3HDAC1
SCHEMBL16776367 0.81 NPC1 (0.44) CA2CA9LMNA
SCHEMBL16776302 0.81 POLB (0.43) EPHB4FAAHLMNALIPG
SCHEMBL16776329 0.81 FYN (0.42) RXFP1FAAHCA2CA9LMNA
SCHEMBL16776332 0.80 CNR2 (0.51) EPHX2UBE2MDCUN1D1FAAHLMNA

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 EPHX2 4530/4885EPHB4 4864/4885RXFP1 1296/4885

“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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