SCHEMBL985457

SCHEMBL985457

O=C(Nc1ccccc1-c1nc2cccnc2s1)c1cc(Cl)ncn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
MAPT P10636 7/20 0.54
TP53 P04637 2/20 0.54
POLB P06746 2/20 0.54
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 3/20 0.50
THRB P10828 2/20 0.50
GAA P10253 1/20 0.48
AHR P35869 1/20 0.47
PPARG P37231 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL2900798 0.87 MAPT (0.56) KDM4EMAPK1ALDH1A1HPGDMAPT
SCHEMBL983454 0.85 KDM4E (0.60) KDM4EMAPK1ALDH1A1HPGDMAPT
SCHEMBL982847 0.84 KDM4E (0.56) KDM4EMAPK1ALDH1A1HPGDMAPT
SCHEMBL984002 0.80 MAPT (0.48) KDM4EMAPK1ALDH1A1HPGDMAPT
SCHEMBL12030352 0.79 MAPT (0.59) KDM4EMAPK1ALDH1A1HPGDMAPT
SCHEMBL12949238 0.79 KDM4E (0.58) KDM4EMAPK1ALDH1A1HPGDMAPT
SCHEMBL985056 0.78 ALDH1A1 (0.52) KDM4EMAPK1ALDH1A1HPGDMAPT
SCHEMBL985548 0.75 MAPT (0.53) KDM4EMAPK1ALDH1A1HPGDMAPT
SCHEMBL12949244 0.75 MAPT (0.51) KDM4EMAPK1ALDH1A1HPGDMAPT
SCHEMBL983042 0.75 MAPT (0.52) KDM4EMAPK1ALDH1A1HPGDMAPT

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 1566/4885ALDH1A1 778/4885

“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.