SCHEMBL2643281

SCHEMBL2643281

CC1=C(C)C(SCC(=O)Nc2ccccn2)N(Cc2cccs2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.53
ESR1 P03372 1/20 0.53
STAT3 P40763 1/20 0.53
ESR2 Q92731 1/20 0.53
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PSMD14 O00487 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2643567 0.84 ALDH1A1 (0.45) SMN1; SMN2POLBKMT2AMEN1TP53
SCHEMBL2643223 0.83 KMT2A (0.49) SMN1; SMN2KMT2AMEN1TP53USP2
SCHEMBL2643873 0.83 KMT2A (0.46) SMN1; SMN2KMT2AMEN1TP53USP2
SCHEMBL2643970 0.81 KMT2A (0.44) SMN1; SMN2KMT2AMEN1TP53USP2
SCHEMBL2642769 0.81 KMT2A (0.44) SMN1; SMN2KMT2AMEN1TP53USP2
SCHEMBL2644277 0.81 ALDH1A1 (0.48) SMN1; SMN2POLBKMT2AMEN1TP53
SCHEMBL2643343 0.80 KMT2A (0.44) SMN1; SMN2KMT2AMEN1TP53USP2
SCHEMBL2643417 0.79 KMT2A (0.46) SMN1; SMN2POLBKMT2AMEN1TP53
SCHEMBL2644714 0.79 NPC1 (0.47) KMT2AMEN1TP53HPGDHSD17B10
SCHEMBL2644224 0.78 KMT2A (0.41) SMN1; SMN2KMT2AMEN1TP53USP2

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 SMN1; SMN2 4546/4885POLB 2382/4885ESR1 3109/4885

“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.