SCHEMBL19706023

SCHEMBL19706023

C#CN1CCCN(C(=O)Nc2ccc(CNC(=O)CCC3(C)NN3)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TRPV1 Q8NER1 4/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ FSHR P23945 2/20 0.32
▸ ELANE P08246 1/20 0.32

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
SCHEMBL19365540 0.91 CA2 (0.38) CA2CA9LMNATRPV1BACE1
SCHEMBL19865035 0.82 CA2 (0.37) CA2CA9LMNATRPV1BACE1
SCHEMBL16785514 0.80 KMT2A (0.37) CA2CA9TRPV1BACE1MAPT
SCHEMBL19365797 0.78 TP53 (0.38) CA2CA9LMNATRPV1BACE1
SCHEMBL16785643 0.77 CA2 (0.37) CA2CA9TRPV1BACE1USP2
SCHEMBL19670371 0.76 NAMPT (0.44) CA2CA9LMNAUSP2POLB
SCHEMBL19365537 0.76 CA2 (0.43) CA2CA9LMNATRPV1BACE1
SCHEMBL19365573 0.75 CA2 (0.39) CA2CA9LMNATP53MAPT
SCHEMBL19670250 0.74 CA2 (0.37) CA2CA9TRPV1BACE1USP2
SCHEMBL19670366 0.74 NAMPT (0.42) CA2CA9USP2POLBMAPT

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885LMNA 3617/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885LMNA 3617/4885

“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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