SCHEMBL2642769

SCHEMBL2642769

CC1=C(C)C(SCC(=O)Nc2ccccn2)N(Cc2ccc(C(C)C)cc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
CACNA1H O95180 2/20 0.41
CACNA1G O43497 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
FFAR2 O15552 1/20 0.41
TP53 P04637 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL2643223 0.89 KMT2A (0.49) KMT2AMEN1TSHRTDP1ALDH1A1
SCHEMBL2643873 0.89 KMT2A (0.46) KMT2AMEN1TSHRTDP1ALDH1A1
SCHEMBL2644277 0.87 ALDH1A1 (0.48) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL2643970 0.87 KMT2A (0.44) KMT2AMEN1TSHRTDP1CACNA1H
SCHEMBL2644224 0.85 KMT2A (0.41) KMT2AMEN1TDP1CACNA1HCACNA1G
SCHEMBL2643343 0.83 KMT2A (0.44) KMT2AMEN1TDP1ALDH1A1LMNA
SCHEMBL2644714 0.83 NPC1 (0.47) KMT2AMEN1TSHRTDP1ALDH1A1
SCHEMBL2643281 0.81 SMN1; SMN2 (0.53) KMT2AMEN1TDP1ALDH1A1LMNA
SCHEMBL2642742 0.79 FAAH (0.41) KMT2AMEN1TSHRTDP1ALDH1A1
SCHEMBL2643709 0.79 MAPT (0.46) KMT2AMEN1ALDH1A1LMNATP53

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 KMT2A 3063/4885MEN1 4513/4885TSHR 3038/4885

“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.