SCHEMBL1206597

SCHEMBL1206597

NC(=S)N/N=C\c1ccccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
GAA P10253 2/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
LMNA P02545 2/20 0.66
KDM4E B2RXH2 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.58
MAOB P27338 2/20 0.57
MAPT P10636 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL1206598 1.00 ALDH1A1 (1.00) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL22367100 0.88 ALDH1A1 (0.78) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL30423425 0.87 ALDH1A1 (0.76) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL31058805 0.87 ALDH1A1 (0.76) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL7747580 0.85 ALDH1A1 (0.74) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL7747583 0.85 ALDH1A1 (0.74) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4094186 0.83 ALDH1A1 (0.71) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4094181 0.83 ALDH1A1 (0.71) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4094184 0.83 ALDH1A1 (0.71) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL16503657 0.83 ALDH1A1 (0.71) ALDH1A1GAAMEN1KMT2ALMNA

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-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC (US) 2011-02-17 US disclosed
EP-2215066-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2010-08-11 EP disclosed
WO-2009058348-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-07 WO 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-20110039847-A1 AMIDE DERIVATIVES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 871/4885GAA 752/4885MEN1 4415/4885

“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.