SCHEMBL2457012

SCHEMBL2457012

CCOC(=O)c1cn(C(=O)OCC)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.64
MEN1 O00255 3/20 0.64
MAPT P10636 6/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 1/20 0.54
CNR1 P21554 1/20 0.54
THRB P10828 1/20 0.52
NR4A2 P43354 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
ELANE P08246 2/20 0.49

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
SCHEMBL8560375 0.89 L3MBTL1 (0.67) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2117439 0.87 KMT2A (0.55) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL6379635 0.83 NR4A2 (0.69) KMT2AMAPTALDH1A1KDM4ELMNA
SCHEMBL2114760 0.83 L3MBTL1 (0.54) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7215714 0.82 TSHR (0.54) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL27939135 0.82 TSHR (0.54) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2090257 0.82 NR4A2 (0.76) ALDH1A1LMNASMN1; SMN2TSHRCNR1
SCHEMBL6283431 0.81 L3MBTL1 (0.53) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL16795100 0.81 ALDH1A1 (0.51) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL8021031 0.81 L3MBTL1 (0.63) KMT2AMEN1MAPTALDH1A1KDM4E

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-20140128571-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-05-08 US disclosed
US-20130165630-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-06-27 US disclosed
US-20120302780-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-11-29 US disclosed
US-20110237776-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2011-09-29 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 (4 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-20120302780-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS CBS, ARSA, SOD1 KMT2A 2298/4885MEN1 4362/4885MAPT 2812/4885
US-20140128571-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 KMT2A 2179/4885MEN1 4105/4885MAPT 2316/4885
US-20110237776-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 KMT2A 2179/4885MEN1 4105/4885MAPT 2316/4885
US-20130165630-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 KMT2A 2179/4885MEN1 4105/4885MAPT 2316/4885

“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.