SCHEMBL2181005

SCHEMBL2181005

O=C[N]CCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KEAP1 Q14145 1/20 0.48
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 4/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.41
DUSP3 P51452 1/20 0.41
PAOX Q6QHF9 1/20 0.41
ALOX15 P16050 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2C19 P33261 1/20 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
SCHEMBL2182030 0.88 GLA (0.42) SMN1; SMN2KEAP1MAPK1HIF1AKDM4E
SCHEMBL3927629 0.82 HRH3 (0.46) SMN1; SMN2MAPK1LMNAALDH1A1ALOX15
SCHEMBL2183067 0.80 PAOX (0.44) ALDH1A1HPGDPAOXSIGMAR1
SCHEMBL5980656 0.78 SMN1; SMN2 (0.54) SMN1; SMN2KEAP1MAPK1HIF1AKDM4E
SCHEMBL5910714 0.77 KEAP1 (0.58) SMN1; SMN2KEAP1MAPK1HIF1AKDM4E
SCHEMBL1446165 0.74 KEAP1 (0.54) SMN1; SMN2KEAP1MAPK1HIF1AKDM4E
SCHEMBL952480 0.74 KEAP1 (0.54) SMN1; SMN2KEAP1MAPK1KDM4ELMNA
SCHEMBL1998867 0.73 KEAP1 (0.71) SMN1; SMN2KEAP1MAPK1KDM4ELMNA
SCHEMBL7239607 0.73 KEAP1 (0.71) SMN1; SMN2KEAP1MAPK1KDM4ELMNA
SCHEMBL13061256 0.73 ALDH1A1 (0.52) SMN1; SMN2KEAP1MAPK1HIF1AKDM4E

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 4 patents. 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 claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
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
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR SMN1; SMN2 2741/4885KEAP1 2535/4885MAPK1 3843/4885

“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.