SCHEMBL5459439

SCHEMBL5459439

NS(=O)(=O)NCCCCC(NC(=O)c1ccc(F)cc1)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.61
CDK4 P11802 4/20 0.58
CCND1 P24385 4/20 0.58
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
TRPV1 Q8NER1 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KISS1R Q969F8 1/20 0.49
SSTR3 P32745 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
PTGS2 P35354 1/20 0.48
MAPT P10636 1/20 0.48
NMBR P28336 2/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL5459435 1.00 SIRT1 (0.61) SIRT1CDK4CCND1BCHEACHE
SCHEMBL5455335 0.87 NMBR (0.52) CDK4CCND1MEN1KMT2ANPC1
SCHEMBL5470683 0.82 KMT2A (0.53) SIRT1MEN1KMT2ANPC1RAB9A
SCHEMBL5470684 0.82 KMT2A (0.53) SIRT1MEN1KMT2ANPC1RAB9A
SCHEMBL8115065 0.81 NMBR (0.72) SIRT1HDAC3HDAC1HDAC2MAPT
SCHEMBL8609618 0.77 SIRT1 (0.71) SIRT1CDK4CCND1BCHEACHE
SCHEMBL19789867 0.77 SIRT1 (0.71) SIRT1CDK4CCND1BCHEACHE
SCHEMBL8115465 0.75 CA1 (0.53) MEN1KMT2AMAPT
SCHEMBL20168557 0.72 SPR (0.61) SIRT1CDK4CCND1ACHETRPV1
SCHEMBL20168558 0.72 SPR (0.61) SIRT1CDK4CCND1ACHETRPV1

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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 SIRT1 34/4885CDK4 1939/4885CCND1 1327/4885

“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.