SCHEMBL21841337

SCHEMBL21841337

CCCCC(=O)NCCCCC(=O)NCc1ccc(NC(=O)N2CCC[C@H](C)c3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CASP6 P55212 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ TRPV1 Q8NER1 2/20 0.34
▸ FAAH O00519 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ UBE2M P61081 2/20 0.34
▸ DCUN1D1 Q96GG9 2/20 0.34
▸ HDAC1 Q13547 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
SCHEMBL19365797 0.87 TP53 (0.38) CA2CA9LMNATP53MEN1
SCHEMBL19365598 0.81 TSHR (0.36) CA2CA9CASP6KMT2ABACE1
SCHEMBL21841335 0.78 NAMPT (0.39) CA2CA9LMNATP53TRPV1
SCHEMBL19670419 0.77 KMT2A (0.38) CA2CA9MEN1KMT2ABACE1
SCHEMBL1815134 0.77 CA2 (0.44) CA2CA9LMNATRPV1UBE2M
SCHEMBL16785535 0.76 EPHX2 (0.38) CA2CA9LMNATP53FAAH
SCHEMBL19669552 0.75 ITGB1 (0.47) CA2CA9
SCHEMBL21841336 0.75 ITGB1 (0.48) CA2CA9
SCHEMBL12654104 0.74 DDR1 (0.41) CA2CA9MEN1KMT2ATRPV1
SCHEMBL19865035 0.74 CA2 (0.37) CA2CA9LMNATP53BACE1

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 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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