SCHEMBL981087

SCHEMBL981087

Cc1nc(NCCN(C)C)cc(C(=O)Nc2ccccc2-c2nc3cccnc3s2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
TP53 P04637 4/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 5/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
GAA P10253 2/20 0.47
THRB P10828 3/20 0.46
AHR P35869 1/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL985166 0.89 MAPT (0.47) MAPTTP53POLBLMNAKDM4E
SCHEMBL984002 0.89 MAPT (0.48) MAPTTP53POLBLMNAKDM4E
SCHEMBL12923591 0.89 MAPT (0.53) MAPTTP53POLBLMNAKDM4E
SCHEMBL12923592 0.88 MAPT (0.50) MAPTTP53POLBLMNAKDM4E
SCHEMBL12923567 0.85 MAPT (0.46) MAPTTP53POLBLMNAKDM4E
SCHEMBL12923590 0.83 MAPT (0.47) MAPTTP53POLBLMNAKDM4E
SCHEMBL983454 0.82 KDM4E (0.60) MAPTTP53POLBLMNAKDM4E
SCHEMBL985579 0.81 MAPT (0.46) MAPTTP53POLBLMNAKDM4E
SCHEMBL12923608 0.79 MAPT (0.49) MAPTTP53POLBLMNAKDM4E
SCHEMBL985252 0.79 MAPT (0.48) MAPTTP53POLBLMNAKDM4E

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 MAPT 550/4885TP53 515/4885POLB 2703/4885

“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.