SCHEMBL2643387

SCHEMBL2643387

COc1ccc(CN2C(=O)C(c3ccccc3)=CC2SCC(=O)Nc2nccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 2/20 0.50
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 3/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL2644276 0.81 MEN1 (0.42) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2643069 0.80 NPC1 (0.53) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL1619278 0.80 MEN1 (0.49) MEN1KMT2AL3MBTL1MAPK1RAB9A
SCHEMBL2666712 0.78 NPC1 (0.48) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL2643683 0.75 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1RAB9AMAPT
SCHEMBL2642989 0.75 NPC1 (0.60) MEN1KMT2AL3MBTL1MAPK1RAB9A
SCHEMBL1619301 0.69 CYP1A2 (0.54) MEN1KMT2AMAPK1RAB9AMAPT
SCHEMBL1617928 0.68 SMN1; SMN2 (0.44) MEN1KMT2AMAPK1RAB9AMAPT
SCHEMBL2666548 0.68 LMNA (0.55) MEN1KMT2AMAPK1RAB9AMAPT
SCHEMBL2666614 0.67 POLB (0.48) MEN1KMT2AMAPK1RAB9AMAPT

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 8 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
EP-1951707-A1 SUBSTITUTED PYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-06 EP disclosed
WO-2007053657-A1 SUBSTITUTED PYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO 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 MEN1 4513/4885KMT2A 3063/4885L3MBTL1 4789/4885

“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.