SCHEMBL2182948

SCHEMBL2182948

CCN(CC)CCNCCC[O]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.47
SIGMAR1 Q99720 2/20 0.36
CYP2C19 P33261 5/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
CYP2C9 P11712 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
ACHE P22303 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CHRM2 P08172 1/20 0.32

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
SCHEMBL2179657 0.86 PAOX (0.41) PAOXSIGMAR1CYP2C19KMT2AMEN1
SCHEMBL11323396 0.85 PAOX (0.48) PAOXSIGMAR1CYP2C19KMT2AMEN1
SCHEMBL7994712 0.83 PAOX (0.57) PAOXCYP2C19KMT2AMEN1ALDH1A1
SCHEMBL229973 0.83 PAOX (0.43) PAOXSIGMAR1CYP2C19KMT2AMEN1
SCHEMBL10814957 0.81 TSHR (0.50) PAOXCYP2C19KMT2AMEN1ALDH1A1
SCHEMBL3784120 0.79 TSHR (0.62) PAOXSIGMAR1CYP2C19KMT2AMEN1
SCHEMBL14037056 0.78 PAOX (0.38) PAOXSIGMAR1CYP2C19KMT2AMEN1
SCHEMBL759902 0.78 PAOX (0.61) PAOXCYP2C19KMT2AMEN1ALDH1A1
SCHEMBL8473674 0.77 TSHR (0.59) PAOXSIGMAR1CYP2C19ALDH1A1TSHR
SCHEMBL6142093 0.77 TDP1 (0.56) PAOXCYP2C19KMT2AMEN1ALDH1A1

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 1702/4885CYP2C19 3722/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR PAOX 1544/4885SIGMAR1 4519/4885CYP2C19 381/4885

“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.