SCHEMBL2182030

SCHEMBL2182030

O=C[N]CCN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KEAP1 Q14145 1/20 0.42
CYP1A2 P05177 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 2/20 0.36
DAO P14920 1/20 0.36
PAOX Q6QHF9 1/20 0.36
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2181005 0.88 SMN1; SMN2 (0.48) GLAKDM4ESMN1; SMN2ALDH1A1KEAP1
SCHEMBL2181134 0.78 PAOX (0.38) ALDH1A1CYP1A2LMNAPAOXTSHR
SCHEMBL6044315 0.76 GLA (0.47) GLAKDM4ESMN1; SMN2ALDH1A1KEAP1
SCHEMBL2182413 0.75 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HIF1ALMNAHSD17B10
SCHEMBL5496326 0.75 KDM4E (0.50) GLAKDM4ESMN1; SMN2ALDH1A1KEAP1
SCHEMBL235080 0.74 KDM4E (0.65) GLAKDM4ESMN1; SMN2ALDH1A1KEAP1
SCHEMBL5343057 0.72 GLA (0.40) GLAKDM4ESMN1; SMN2ALDH1A1KEAP1
SCHEMBL6077409 0.71 KDM4E (0.46) GLAKDM4ESMN1; SMN2ALDH1A1KEAP1
SCHEMBL10501656 0.71 KEAP1 (0.52) GLAKDM4ESMN1; SMN2ALDH1A1KEAP1
SCHEMBL18434868 0.71 KDM4E (0.46) GLAKDM4ESMN1; SMN2ALDH1A1KEAP1

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 5 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
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 (2 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 GLA 3686/4885KDM4E 2362/4885SMN1; SMN2 2047/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR GLA 4342/4885KDM4E 4180/4885SMN1; SMN2 2741/4885

“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.