SCHEMBL982847

SCHEMBL982847

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
MAPK1 P28482 2/20 0.56
MAPT P10636 9/20 0.53
TP53 P04637 2/20 0.53
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
POLB P06746 2/20 0.51
PPARG P37231 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
THRB P10828 1/20 0.47
LMNA P02545 3/20 0.47
ATM Q13315 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL12949238 0.91 KDM4E (0.58) KDM4EMAPK1MAPTTP53ALDH1A1
SCHEMBL12949244 0.88 MAPT (0.51) KDM4EMAPK1MAPTTP53ALDH1A1
SCHEMBL985548 0.88 MAPT (0.53) KDM4EMAPK1MAPTTP53ALDH1A1
SCHEMBL983042 0.87 MAPT (0.52) KDM4EMAPK1MAPTTP53ALDH1A1
SCHEMBL983454 0.86 KDM4E (0.60) KDM4EMAPK1MAPTTP53ALDH1A1
SCHEMBL982458 0.85 TP53 (0.51) KDM4EMAPK1MAPTTP53ALDH1A1
SCHEMBL12923552 0.85 MAPT (0.49) KDM4EMAPK1MAPTTP53ALDH1A1
SCHEMBL12881693 0.85 NTRK1 (0.48) KDM4EMAPTALDH1A1HPGDNPC1
SCHEMBL985252 0.85 MAPT (0.48) KDM4EMAPK1MAPTTP53ALDH1A1
SCHEMBL985648 0.85 MAPT (0.48) KDM4EMAPK1MAPTTP53ALDH1A1

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 KDM4E 3193/4885MAPK1 1566/4885MAPT 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.