SCHEMBL16776432

SCHEMBL16776432

NCc1cccc(NC(=O)N2CCCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ FAAH O00519 2/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GAA P10253 2/20 0.38
▸ FYN P06241 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAF1 P04049 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ EPHB4 P54760 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ KDR P35968 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
SCHEMBL16776179 0.94 CA2 (0.45) CA2CA9FAAHMEN1KMT2A
SCHEMBL16776322 0.89 NPC1 (0.44) CA2CA9MEN1KMT2AGAA
SCHEMBL16776476 0.87 CA2 (0.43) CA2CA9MEN1KMT2AFYN
SCHEMBL16785538 0.86 HTR2A (0.49) CA2CA9FAAHMEN1KMT2A
SCHEMBL16776329 0.86 FYN (0.42) CA2CA9FAAHGAAFYN
SCHEMBL16776332 0.86 CNR2 (0.51) FAAHMEN1KMT2A
SCHEMBL16785648 0.86 EPHB4 (0.44) CA2CA9FAAHMEN1KMT2A
SCHEMBL16775841 0.85 CA2 (0.41) CA2CA9MEN1KMT2AFYN
SCHEMBL16785533 0.85 CA2 (0.37) CA2CA9FAAHKITBACE1
SCHEMBL16776367 0.85 NPC1 (0.44) CA2CA9MEN1KMT2AFYN

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 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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