SCHEMBL16998699

SCHEMBL16998699

Cc1cc(O)nc(SCc2nc(C)n(C)c2C)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.38
HTT P42858 2/20 0.37
RCE1 Q9Y256 1/20 0.36
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL17689167 0.79 KDM4E (0.42) ALDH1A1KDM4EHPGDL3MBTL1GAA
SCHEMBL858535 0.76 LMNA (0.38) ALDH1A1KDM4EHPGDL3MBTL1GAA
SCHEMBL845268 0.76 L3MBTL1 (0.40) ALDH1A1KDM4EHPGDL3MBTL1GAA
SCHEMBL844664 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDL3MBTL1GAA
Hydrochloric Acid SCHEMBL844618 0.75 L3MBTL1 (0.39) ALDH1A1KDM4EHPGDL3MBTL1GAA
Hydrochloric Acid SCHEMBL859247 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDL3MBTL1GAA
SCHEMBL861950 0.74 KDM4E (0.48) ALDH1A1KDM4EHPGDL3MBTL1LMNA
SCHEMBL859368 0.74 KDM4E (0.40) ALDH1A1KDM4EHPGDL3MBTL1GAA
SCHEMBL13066697 0.74 KDM4E (0.38) ALDH1A1KDM4EHPGDL3MBTL1GAA
SCHEMBL859396 0.74 KDM4E (0.40) ALDH1A1KDM4EHPGDL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 US 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP ALDH1A1 577/4885KDM4E 3841/4885HPGD 342/4885

“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.