SCHEMBL3612673

SCHEMBL3612673

NC(=O)c1cccc(C(=O)NNC(=O)c2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.64
SIRT1 Q96EB6 2/20 0.64
SIRT3 Q9NTG7 2/20 0.64
F7 P08709 1/20 0.64
F3 P13726 1/20 0.64
SARM1 Q6SZW1 1/20 0.64
SIRT6 Q8N6T7 1/20 0.64
SIRT5 Q9NXA8 1/20 0.64
SIRT4 Q9Y6E7 1/20 0.64
KMT2A Q03164 3/20 0.57
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
FTO Q9C0B1 1/20 0.55
GAA P10253 3/20 0.54
CYP2C9 P11712 2/20 0.54
ALPL P05186 1/20 0.54
ALPI P09923 1/20 0.54
ALPG P10696 1/20 0.54
KCNK3 O14649 1/20 0.52
THRB P10828 1/20 0.51

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
SCHEMBL18136526 0.85 HDAC1 (0.65) SIRT2SIRT1SIRT3F7F3
SCHEMBL5361880 0.85 HDAC1 (0.74) SIRT2SIRT1SIRT3F7F3
SCHEMBL29099754 0.82 LMNA (0.69) SIRT2KMT2AKCNK3LMNAHIF1A
SCHEMBL22983139 0.82 KCNK3 (0.74) SIRT2SIRT1SIRT3F7F3
SCHEMBL255625 0.81 CA1 (0.65) SIRT2SIRT1SIRT3F7F3
SCHEMBL5361922 0.80 GAA (0.77) KMT2AHDAC1HDAC6FTOGAA
Hydrochloric Acid SCHEMBL872442 0.79 CA1 (0.63) SIRT2SIRT1SIRT3F7F3
Niacinamide SCHEMBL460466 0.79 F7 (1.00) SIRT2SIRT1SIRT3F7F3
Niacinamide SCHEMBL29624874 0.79
Niacinamide SCHEMBL19978192 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172358-A1 GPCR Agonists PROSIDION LIMITED (GB) 2012-07-05 US disclosed
US-20100063081-A1 CPCR Agonists PROSIDION LIMITED (GB) 2010-03-11 US disclosed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 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 (3 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-20120172358-A1 GPCR Agonists GPR119, GCGR, GPR27 SIRT2 2223/4885SIRT1 1801/4885SIRT3 2260/4885
US-20100063081-A1 CPCR Agonists GPR119, GCGR, GLP1R SIRT2 2544/4885SIRT1 1777/4885SIRT3 2335/4885
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 SIRT2 902/4885SIRT1 397/4885SIRT3 256/4885

“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.