SCHEMBL2644191

SCHEMBL2644191

COc1ccc(CN2C(=O)C=C(c3ccccc3)C2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CMA1 P23946 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
NPBWR1 P48145 1/20 0.42
P2RX4 Q99571 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL2644221 0.80 KDM4E (0.50) KDM4EHKDC1MEN1KMT2AMMP1
SCHEMBL2644150 0.71 KDM4E (0.66) KDM4EHKDC1MEN1KMT2ANPC1
SCHEMBL30296389 0.71 KDM4E (0.66) KDM4EHKDC1MEN1KMT2ANPC1
SCHEMBL21499667 0.70 GSK3A (0.46) KDM4EHKDC1MEN1KMT2AMMP1
SCHEMBL14600666 0.70 MEN1 (0.54) KDM4EHKDC1MEN1KMT2AMMP1
SCHEMBL21847080 0.70 KDM4E (0.51) KDM4EHKDC1MEN1KMT2AMMP1
SCHEMBL2644855 0.70 KDM4E (0.57) KDM4EHKDC1MEN1KMT2AGSK3A
SCHEMBL31148998 0.70 GSK3A (0.55) KDM4EHKDC1MEN1KMT2AMMP1
SCHEMBL2644212 0.69 RGS4 (0.64) KDM4EMEN1KMT2AGSK3AGSK3B
SCHEMBL9027772 0.69 KMT2A (0.53) MEN1KMT2AGSK3BSIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US disclosed
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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 (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-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase GCK, GCKR, PDXK KDM4E 1136/4885HKDC1 149/4885MEN1 4513/4885

“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.