SCHEMBL981752

SCHEMBL981752

O=C(O)c1cc(N2CCOCC2)nc(-c2ccccc2)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.74
MAPT P10636 4/20 0.68
NPSR1 Q6W5P4 2/20 0.68
TSHR P16473 2/20 0.68
MAPK1 P28482 2/20 0.68
HSD17B10 Q99714 2/20 0.68
MTOR P42345 1/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 4/20 0.56
CYP2C9 P11712 4/20 0.56
CYP2C19 P33261 4/20 0.56
ALDH1A1 P00352 3/20 0.56
ATR Q13535 1/20 0.56
PKM P14618 1/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
CYP3A4 P08684 2/20 0.55

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
SCHEMBL987017 0.86 HTT (0.65) HTTMAPTNPSR1TSHRMAPK1
SCHEMBL2927049 0.86 HPGD (0.67) HTTMAPTNPSR1TSHRMAPK1
SCHEMBL6394883 0.84 HPGD (0.63) HTTMAPTNPSR1TSHRMAPK1
SCHEMBL2902905 0.84 HTT (0.54) HTTMAPTNPSR1TSHRMAPK1
SCHEMBL1271855 0.84 FFAR1 (0.61) HTTMAPTNPSR1TSHRMAPK1
SCHEMBL3452088 0.81 MAPT (1.00) HTTMAPTNPSR1TSHRMAPK1
SCHEMBL1270891 0.80 PIK3CA (0.63) HTTMAPTNPSR1TSHRMAPK1
SCHEMBL1206573 0.79 HTT (0.55) HTTMAPTNPSR1TSHRMAPK1
SCHEMBL1029661 0.79 HTT (0.80) HTTMAPTNPSR1TSHRMAPK1
SCHEMBL10830558 0.79 HTT (0.80) HTTMAPTNPSR1TSHRMAPK1

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 HTT 287/4885MAPT 550/4885NPSR1 3064/4885

“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.