SCHEMBL16776460

SCHEMBL16776460

C=C=NCC(=O)NCc1ccc(NC(=O)N2CCCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.41
▸ LMNA P02545 5/20 0.41
▸ THRB P10828 2/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ FGFR4 P22455 2/20 0.36
▸ P2RX1 P51575 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 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
SCHEMBL12654530 0.81 CA2 (0.44) CA2CA9FGFR4P2RX1
SCHEMBL12654400 0.78 P2RX1 (0.46) CA2CA9FGFR4P2RX1
SCHEMBL12654516 0.76 P2RX1 (0.48) CA2CA9FGFR4P2RX1
SCHEMBL19365573 0.75 CA2 (0.39) TP53LMNATHRBCA2CA9
SCHEMBL12654101 0.75 HTR2C (0.51) CA2CA9
SCHEMBL12654527 0.74 FGFR4 (0.56) CA2CA9FGFR4
SCHEMBL12654660 0.74 FGFR4 (0.46) LMNAFGFR4
SCHEMBL12654639 0.74 FGFR4 (0.49) CA2CA9FGFR4P2RX1
SCHEMBL1820744 0.74 FGFR4 (0.45) CA2CA9FGFR4P2RX1
SCHEMBL12654515 0.74 FGFR4 (0.45) TP53LMNACA2CA9FGFR4

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 TP53 349/4885LMNA 3617/4885THRB 2054/4885

“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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