SCHEMBL2644965

SCHEMBL2644965

O=C(CSC1C2=C(CCCC2)C(=O)N1Cc1cccc2ccccc12)Nc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
GSK3B P49841 1/20 0.39
TP53 P04637 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
SCHEMBL14507622 0.85 KMT2A (0.40) ALDH1A1KDM4ETP53TDP1HTT
SCHEMBL2666863 0.84 HTT (0.41) ALDH1A1KDM4ETP53TDP1HTT
SCHEMBL1617877 0.83 KDM4E (0.44) TAOK1ALDH1A1KDM4ETP53SIRT2
SCHEMBL2654971 0.82 CYP1A2 (0.43) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL2662132 0.82 KMT2A (0.41) ALDH1A1KDM4ETP53TDP1SMN1; SMN2
SCHEMBL5464656 0.81 TDP1 (0.39) ALDH1A1KDM4ETP53TDP1SMN1; SMN2
SCHEMBL2666711 0.81 ALDH1A1 (0.45) ALDH1A1KDM4ECDK5CDK5R1TDP1
SCHEMBL2666534 0.80 SMN1; SMN2 (0.47) ALDH1A1TP53TDP1SMN1; SMN2POLB
SCHEMBL2666573 0.80 ALDH1A1 (0.45) ALDH1A1KDM4ECDK5CDK5R1TDP1
SCHEMBL2666668 0.79 HCRTR1 (0.39) ALDH1A1KDM4ETP53TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951707-A1 SUBSTITUTED PYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP claimed
WO-2007053657-A1 SUBSTITUTED PYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO claimed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US claimed
EP-1960386-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-27 EP disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
US-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-24 US disclosed
WO-2007053765-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
WO-2007053765-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 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-20070117808-A1 Substituted Cycloalkylpyrrolones As Allosteric Modulators Of Glucokinase GCKR, GCK, GALK1 TAOK1 1655/4885ALDH1A1 2410/4885KDM4E 1627/4885
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase GCK, GCKR, PDXK TAOK1 1068/4885ALDH1A1 2312/4885KDM4E 1136/4885

“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.