SCHEMBL2643429

SCHEMBL2643429

COc1ccc(CN2C(=O)C=C(C)C2SCC(=O)Nc2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
F2 P00734 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 3/20 0.42
POLB P06746 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HCRTR1 O43613 1/20 0.41

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
SCHEMBL2644277 0.87 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL2643174 0.85 MAPT (0.41) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL1619405 0.83 KDM4E (0.49) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL2643683 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL2666711 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL2666573 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL2643343 0.80 KMT2A (0.44) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL2642688 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL2644224 0.77 KMT2A (0.41) ALDH1A1SMN1; SMN2HPGDKDM4EGAA
SCHEMBL2643223 0.76 KMT2A (0.49) ALDH1A1SMN1; SMN2HPGDKDM4EGAA

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 6 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-8680122-B2 Substituted pyrrolones as allosteric modulators of glucokinase JANSSEN PHARMACETICA N.V. (BE) 2014-03-25 US disclosed
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
US-20070099937-A1 Substituted Pyrrolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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 ALDH1A1 2312/4885SMN1; SMN2 4546/4885HPGD 1007/4885

“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.