SCHEMBL16776439

SCHEMBL16776439

CCCCc1ccc(NC(=O)N2CCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc1C1=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ RAF1 P04049 11/20 0.34
▸ BRAF P15056 10/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ CASP6 P55212 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TRPA1 O75762 1/20 0.31

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
SCHEMBL16776440 0.88 CA2 (0.35) CA2CA9RAF1BRAFMAPT
SCHEMBL16776442 0.86 CA2 (0.36) CA2CA9RAF1BRAFNPC1
SCHEMBL16776322 0.81 NPC1 (0.44) CA2CA9RAF1BRAFNPC1
SCHEMBL16776165 0.80 CA2 (0.43) CA2CA9RAF1NPC1FYN
SCHEMBL16776426 0.80 CA2 (0.32) CA2CA9RAF1BRAFTRPA1
SCHEMBL16776444 0.79 MEN1 (0.34) CASP6
SCHEMBL16775878 0.79 KMO (0.38) CA2CA9RAF1BRAFNPC1
SCHEMBL16776402 0.78 NPC1 (0.42) CA2CA9RAF1BRAFNPC1
SCHEMBL16776364 0.78 CA2 (0.43) CA2CA9RAF1BRAFNPC1
SCHEMBL16776367 0.78 NPC1 (0.44) CA2CA9RAF1BRAFNPC1

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 4248/4885RAF1 2875/4885

“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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