SCHEMBL19865035

SCHEMBL19865035

CCN1CCCN(C(=O)Nc2ccc(CNC(=O)CCC3(C)N=N3)cc2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TP53 P04637 3/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ FSHR P23945 2/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL19365573 0.87 CA2 (0.39) CA2CA9ELANELMNATP53
SCHEMBL19365540 0.85 CA2 (0.38) CA2CA9LMNABACE1USP2
SCHEMBL19670249 0.85 CA2 (0.42) CA2CA9LMNABACE1FAAH
SCHEMBL19670366 0.85 NAMPT (0.42) CA2CA9ELANEUSP2POLB
SCHEMBL19365749 0.84 CA2 (0.42) CA2CA9LMNAPOLBTP53
SCHEMBL19699078 0.84 NAMPT (0.42) CA2CA9ELANELMNAFAAH
SCHEMBL19706023 0.82 CA2 (0.36) CA2CA9ELANELMNABACE1
SCHEMBL19670572 0.82 LMNA (0.35) CA2CA9LMNABACE1USP2
SCHEMBL19365538 0.82 KMT2A (0.38) CA2CA9BACE1USP2POLB
SCHEMBL16250002 0.81 KMT2A (0.37) CA2CA9BACE1FAAHMAPT

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4636/4885CA9 4430/4885ELANE 2654/4885

“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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