SCHEMBL2643683

SCHEMBL2643683

COc1ccc(CN2C(=O)C(C)=CC2SCC(=O)Nc2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 1/20 0.48
F2 P00734 1/20 0.45
HKDC1 Q2TB90 1/20 0.44
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
MEN1 O00255 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
SCHEMBL2644277 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL2643429 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL2666711 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL1619405 0.82 KDM4E (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL2666573 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL2643694 0.79 NPC1 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL2643343 0.79 KMT2A (0.44) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL2644224 0.76 KMT2A (0.41) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL2643223 0.75 KMT2A (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDGAA
SCHEMBL2643387 0.75 MEN1 (0.52) ALDH1A1SMN1; SMN2KDM4EGAARAB9A

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 4546/4885KDM4E 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.