SCHEMBL987050

SCHEMBL987050

O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(NCCN2CCCCC2)nc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MAPT P10636 5/20 0.43
TP53 P04637 3/20 0.43
ACP1 P24666 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SMARCA2 P51531 1/20 0.40
P2RY12 Q9H244 1/20 0.39
THRB P10828 2/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL12923287 0.99 TMEM97 (0.45) TMEM97SIGMAR1MAPTTP53ACP1
Hydrochloric Acid SCHEMBL987085 0.98 TMEM97 (0.44) TMEM97SIGMAR1MAPTTP53ACP1
SCHEMBL12923630 0.93 MAPT (0.47) TMEM97SIGMAR1MAPTTP53ACP1
SCHEMBL12923286 0.93 P2RY12 (0.47) MAPTTP53ACP1KDM4EMAPK1
SCHEMBL12949079 0.93 TMEM97 (0.46) TMEM97SIGMAR1MAPTTP53KDM4E
Hydrochloric Acid SCHEMBL985529 0.92 TMEM97 (0.46) TMEM97SIGMAR1MAPTTP53KDM4E
Hydrochloric Acid SCHEMBL984355 0.92 P2RY12 (0.47) MAPTTP53ACP1KDM4EMAPK1
SCHEMBL12923289 0.92 MAPT (0.41) TMEM97SIGMAR1MAPTTP53KDM4E
SCHEMBL12923530 0.91 MAPT (0.43) MAPTTP53KDM4EMAPK1POLB
Hydrochloric Acid SCHEMBL984177 0.91 MAPT (0.41) TMEM97SIGMAR1MAPTTP53KDM4E

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 TMEM97 2153/4885SIGMAR1 4046/4885MAPT 550/4885

“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.