SCHEMBL2179657

SCHEMBL2179657

CCN(CC)CCNCC[O]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.41
SIGMAR1 Q99720 2/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2C19 P33261 2/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
TSHR P16473 1/20 0.34
ACHE P22303 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 2/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL229973 0.87 PAOX (0.43) PAOXSIGMAR1KMT2AMEN1CYP2C19
SCHEMBL2182948 0.86 PAOX (0.47) PAOXSIGMAR1KMT2AMEN1CYP2C19
SCHEMBL14037056 0.82 PAOX (0.38) PAOXSIGMAR1KMT2AMEN1CYP2C19
Bicarbonate SCHEMBL30077224 0.80 PAOX (0.50) PAOXSIGMAR1KMT2AMEN1CYP2C19
SCHEMBL7366067 0.79 PAOX (0.39) PAOXSIGMAR1KMT2AMEN1CYP2C19
SCHEMBL11323396 0.79 PAOX (0.48) PAOXSIGMAR1KMT2AMEN1CYP2C19
SCHEMBL19524735 0.78 PAOX (0.36) PAOXSIGMAR1KMT2AMEN1CYP2C19
SCHEMBL10713651 0.77 CYP2C9 (0.54) PAOXSIGMAR1KMT2AMEN1CYP2C19
SCHEMBL7994712 0.77 PAOX (0.57) PAOXKMT2AMEN1CYP2C19GAA
SCHEMBL8343447 0.77 CYP2C19 (0.46) PAOXSIGMAR1KMT2AMEN1CYP2C19

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 PAOX 4423/4885SIGMAR1 1702/4885KMT2A 1459/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR PAOX 1544/4885SIGMAR1 4519/4885KMT2A 2750/4885

“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.