SCHEMBL984175

SCHEMBL984175

COC(=O)c1cc(CBr)nc(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE5A O76074 2/20 0.42
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
BLM P54132 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2B P29275 1/20 0.40
PRNP P04156 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2588413 0.87 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10PDE5A
SCHEMBL2584036 0.86 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10PDE5A
SCHEMBL4960971 0.83 P2RY12 (0.51) ALDH1A1KDM4EHPGDHSD17B10PDE5A
SCHEMBL18234086 0.82 SCN9A (0.48) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4960361 0.82 P2RY12 (0.48) ALDH1A1KDM4EHPGDHSD17B10CYP4F2
SCHEMBL4265804 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL983739 0.80 P2RY12 (0.54) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL985111 0.80 LMNA (0.54) ALDH1A1KDM4EHPGDHSD17B10ABCC1
SCHEMBL27846650 0.79 ADORA1 (0.44) ALDH1A1KDM4EHPGDHSD17B10PDE5A
SCHEMBL16845408 0.79 SCN9A (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 ALDH1A1 778/4885KDM4E 3193/4885HPGD 230/4885

“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.