SCHEMBL15445321

SCHEMBL15445321

C=C(N)C1CCCCc2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 15/20 0.57
SIRT2 Q8IXJ6 5/20 0.57
SIRT3 Q9NTG7 2/20 0.52
DHODH Q02127 1/20 0.52
RECQL P46063 1/20 0.52
CYP2D6 P10635 2/20 0.50
MAPT P10636 1/20 0.48
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL12989592 0.96 SIRT1 (0.57) SIRT1SIRT2SIRT3DHODHRECQL
SCHEMBL15451341 0.88 SIRT1 (0.74) SIRT1SIRT2SIRT3DHODHRECQL
SCHEMBL15445320 0.85 SIRT1 (0.78) SIRT1SIRT2SIRT3RECQLMAPT
SCHEMBL12988711 0.85 SIRT1 (0.78) SIRT1SIRT2SIRT3RECQLMAPT
SCHEMBL4165081 0.84 SIRT1 (0.75) SIRT1SIRT2SIRT3DHODHRECQL
SCHEMBL12990046 0.81 SIRT1 (0.77) SIRT1SIRT2SIRT3RECQLMAPT
SCHEMBL12989489 0.81 SIRT1 (0.77) SIRT1SIRT2SIRT3RECQLMAPT
SCHEMBL4153830 0.80 CYP2D6 (0.58) SIRT1SIRT2SIRT3DHODHRECQL
SCHEMBL1870436 0.80 SIRT1 (0.73) SIRT1SIRT2SIRT3DHODHRECQL
Hydrochloric Acid SCHEMBL4138356 0.79 CYP2D6 (0.57) SIRT1SIRT2DHODHCYP2D6MAPT

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-20140030295-A1 Use of Sirt1 Activators or Inhibitors to Modulate an Immune Response THE J. DAVID GLADSTONE INSTITUTES (US) 2014-01-30 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-20140030295-A1 Use of Sirt1 Activators or Inhibitors to Modulate an Immune Response SIRT1, SIRT2, NFATC1 SIRT1 1/4885SIRT2 2/4885SIRT3 5/4885

“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.