SCHEMBL21841335

SCHEMBL21841335

CCCCCC(=O)NCCCCCC(=O)NCc1ccc(NC(=O)N2CCCCc3ccc(-c4cccc(C(F)(F)F)c4)nc3C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TRPV1 Q8NER1 4/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ PLA2G2A P14555 2/20 0.36
▸ FAAH O00519 1/20 0.35
▸ KCNQ3 O43525 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
SCHEMBL19365797 0.79 TP53 (0.38) CA2CA9LMNATP53TRPV1
SCHEMBL21841337 0.78 CA2 (0.37) CA2CA9LMNATP53TRPV1
SCHEMBL19365598 0.76 TSHR (0.36) CA2CA9TRPV1HDAC6HDAC1
SCHEMBL19670419 0.73 KMT2A (0.38) CA2CA9TRPV1FAAHKCNQ3
SCHEMBL16785535 0.71 EPHX2 (0.38) CA2CA9LMNATP53HDAC6
SCHEMBL16776460 0.70 TP53 (0.41) NAMPTCA2CA9LMNATP53
SCHEMBL2363852 0.67 CASP6 (0.44) —
SCHEMBL19365573 0.66 CA2 (0.39) CA2CA9LMNATP53
SCHEMBL19865035 0.66 CA2 (0.37) CA2CA9LMNATP53TRPV1
SCHEMBL19670572 0.66 LMNA (0.35) CA2CA9LMNATP53HDAC6

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — 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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NAMPT 74/4885CA2 4253/4885CA9 4248/4885

“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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