SCHEMBL13077858

SCHEMBL13077858

CCOCCN(C)Cc1csc2nc(-c3ccccc3N)cn12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 10/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ THRB P10828 1/20 0.32
▸ CHRM2 P08172 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SIRT3 Q9NTG7 1/20 0.31
▸ AR P10275 1/20 0.30

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
SCHEMBL220546 0.83 SIRT1 (0.38) SIRT1TP53MAPTCHRM2ADRA2A
SCHEMBL14266015 0.75 TP53 (0.41) SIRT1TP53MAPT
SCHEMBL11987212 0.74 SIRT1 (0.42) SIRT1TP53MAPTCHRM2ADRA2A
SCHEMBL13470774 0.72 TP53 (0.46) SIRT1TP53MAPTTHRB
SCHEMBL13470784 0.72 SIRT1 (0.41) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL13470766 0.70 ALDH1A1 (0.43) TP53MAPT
SCHEMBL2576213 0.70 F2RL3 (0.40) SIRT1
SCHEMBL222169 0.70 SIRT1 (0.52) SIRT1CHRM2ADRA2ACHRM1SLC6A2
SCHEMBL9926386 0.68 SIRT1 (0.57) SIRT1
SCHEMBL962137 0.68 SIRT1 (0.40) SIRT1CHRM2ADRA2ACHRM1SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829556-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2010-11-09 — — US disclosed
US-20090012080-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-08 — — 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-20090012080-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 SIRT1 1/4885TP53 582/4885MAPT 625/4885

“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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