SCHEMBL2187671

SCHEMBL2187671

COC(=O)c1cnn(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
GRM2 Q14416 1/20 0.42
ACHE P22303 2/20 0.41
MAPK1 P28482 2/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
CYP2C19 P33261 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL2187074 0.84 L3MBTL1 (0.44) L3MBTL1ALDH1A1KDM4EHPGDGRM2
SCHEMBL7820903 0.83 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4EHPGDGRM2
SCHEMBL12492471 0.83 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4EHPGDGRM2
SCHEMBL27759034 0.81 ACHE (0.63) L3MBTL1ALDH1A1KDM4EHPGDGRM2
SCHEMBL22064000 0.81 L3MBTL1 (0.49) L3MBTL1ALDH1A1KDM4EHPGDGRM2
SCHEMBL24828550 0.81 L3MBTL1 (0.49) L3MBTL1ALDH1A1KDM4EHPGDGRM2
SCHEMBL24842016 0.81 L3MBTL1 (0.45) L3MBTL1ALDH1A1KDM4EHPGDGRM2
SCHEMBL24842778 0.81 ALDH1A1 (0.39) L3MBTL1ALDH1A1KDM4EHPGDGRM2
SCHEMBL24036424 0.80 ACHE (0.54) L3MBTL1ALDH1A1KDM4EHPGDGRM2
SCHEMBL27645962 0.80 L3MBTL1 (0.55) L3MBTL1ALDH1A1KDM4EHPGDGRM2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101538243-B Malononitrile compounds and their use SUMITOMO CHEMICAL CO 2012-05-09 CN disclosed
CN-101544606-B Malononitrile compound and use thereof SUMITOMO CHEMICAL CO 2012-02-29 CN disclosed
EP-1710234-B1 MALONONITRILE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-13 EP disclosed
CN-1910147-B Malononitrile compounds and their use SUMITOMO CHEMICAL CO 2011-04-20 CN disclosed
CN-101544606-A Malononitrile compound and use thereof SUMITOMO CHEMICAL CO 2009-09-30 CN disclosed
CN-101538243-A Malononitrile compound and use thereof SUMITOMO CHEMICAL CO 2009-09-23 CN disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-7541374-B2 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-02 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
US-20070117854-A1 Malononitrile compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-24 US disclosed
CN-1910147-A Malononitrile compounds and their use SUMITOMO CHEMICAL CO (JP) 2007-02-07 CN disclosed
EP-1710234-A1 MALONONITRILE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-10-11 EP 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-20070117854-A1 Malononitrile compounds and use thereof ME1, DDT, CYP51A1 L3MBTL1 704/4885ALDH1A1 143/4885KDM4E 1179/4885

“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.