SCHEMBL2179033

SCHEMBL2179033

COc1ccc(C=NN(CCO)c2cc(=O)n(C)c(=O)[nH]2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.70
KDM4C Q9H3R0 2/20 0.70
ALDH1A1 P00352 7/20 0.54
HPGD P15428 4/20 0.54
NR1I2 O75469 1/20 0.54
AHR P35869 1/20 0.54
PKM P14618 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 4/20 0.43
THRB P10828 2/20 0.43
PDE4D Q08499 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE2A O00408 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.36

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
SCHEMBL2179029 1.00 KDM4E (0.70) KDM4EKDM4CALDH1A1HPGDNR1I2
SCHEMBL2182930 0.88 ALDH1A1 (0.59) KDM4EKDM4CALDH1A1HPGDNR1I2
SCHEMBL2182936 0.88 ALDH1A1 (0.59) KDM4EKDM4CALDH1A1HPGDNR1I2
SCHEMBL2182167 0.84 ALDH1A1 (0.62) KDM4EKDM4CALDH1A1HPGDNR1I2
SCHEMBL2182166 0.84 ALDH1A1 (0.62) KDM4EKDM4CALDH1A1HPGDNR1I2
SCHEMBL2180608 0.83 ALDH1A1 (0.62) KDM4EKDM4CALDH1A1HPGDNR1I2
SCHEMBL2180606 0.83 ALDH1A1 (0.62) KDM4EKDM4CALDH1A1HPGDNR1I2
SCHEMBL2179902 0.83 ALDH1A1 (0.78) KDM4EKDM4CALDH1A1HPGDNR1I2
SCHEMBL2179900 0.83 ALDH1A1 (0.78) KDM4EKDM4CALDH1A1HPGDNR1I2
SCHEMBL2182037 0.82 ALDH1A1 (0.60) KDM4EKDM4CALDH1A1HPGDNR1I2

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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR KDM4E 4180/4885KDM4C 3280/4885ALDH1A1 245/4885

“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.