SCHEMBL2643159

SCHEMBL2643159

COC(=O)c1ccc(NC(=O)CSC2C(c3ccccc3)=C(c3ccccc3)C(=O)N2Cc2ccc(OC)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
VNN1 O95497 1/20 0.38
GAA P10253 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
TP53 P04637 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
MAPK1 P28482 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL2659448 0.92 MEN1 (0.39) MEN1KMT2ANPC1RAB9ACDK5
SCHEMBL2642709 0.85 MAPT (0.42) MEN1KMT2AVNN1TP53MAPK1
SCHEMBL2666710 0.82 MAPK1 (0.40) MEN1KMT2ANPC1RAB9ACDK5
SCHEMBL2643174 0.80 MAPT (0.41) MEN1KMT2ACDK5CDK5R1VNN1
SCHEMBL2644853 0.80 NR1H2 (0.43) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL2644216 0.80 TSHR (0.41) MEN1KMT2ACDK5CDK5R1VNN1
SCHEMBL1618842 0.80 ALDH1A1 (0.42) MEN1KMT2ANPC1RAB9ACDK5
SCHEMBL1619270 0.80 ALDH1A1 (0.47) MEN1KMT2ARAB9AGAAMAPK1
SCHEMBL2660303 0.79 WNT3A (0.36) MEN1KMT2AGAATP53MAPK1
SCHEMBL2643421 0.78 VNN1 (0.43) MEN1KMT2ANPC1RAB9AVNN1

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 4 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
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

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 3063/4885NPC1 4566/4885

“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.