SCHEMBL5522366

SCHEMBL5522366

[O]c1ncccc1Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.39
PNP P00491 1/20 0.39
ATM Q13315 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL1328569 0.78 DHFR (0.47) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL2085710 0.78 HPGD (0.39) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL2657914 0.78 ALDH1A1 (0.42) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL2082262 0.77 HPGD (0.40) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL298750 0.77 ALDH1A1 (0.52) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL1329600 0.74 MEN1 (0.56) MAPTMAPK1LMNASMN1; SMN2HPGD
SCHEMBL795029 0.74 SIRT1 (0.54) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL3897205 0.71 SIRT1 (0.52) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL3900082 0.71 SIRT1 (0.52) SIRT1MAPTKDM4ENSD2MAPK1
SCHEMBL3897215 0.71 SIRT1 (0.52) SIRT1MAPTKDM4ENSD2MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 US claimed

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-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives NFATC1, PDCD1, ACIN1 SIRT1 2134/4885MAPT 4047/4885KDM4E 1717/4885

“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.