SCHEMBL2643970

SCHEMBL2643970

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CACNA1G O43497 4/20 0.41
CACNA1H O95180 4/20 0.41
CACNA1I Q9P0X4 4/20 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
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPK1 P28482 1/20 0.38

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) KMT2AMEN1GAATDP1RAB9A
SCHEMBL2643873 0.89 KMT2A (0.46) KMT2AMEN1GAATDP1TP53
SCHEMBL2642769 0.87 KMT2A (0.44) KMT2AMEN1GAATDP1CACNA1G
SCHEMBL2644277 0.87 ALDH1A1 (0.48) KMT2AMEN1GAATDP1NPC1
SCHEMBL1617890 0.84 KDM4E (0.39) KMT2AGAATDP1NPC1RAB9A
SCHEMBL2644224 0.84 KMT2A (0.41) KMT2AMEN1GAATDP1NPC1
SCHEMBL2643343 0.83 KMT2A (0.44) KMT2AMEN1GAATDP1NPC1
SCHEMBL2644714 0.83 NPC1 (0.47) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL2643281 0.81 SMN1; SMN2 (0.53) KMT2AMEN1GAATDP1NPC1
SCHEMBL2642742 0.79 FAAH (0.41) KMT2AMEN1GAATDP1NPC1

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 4513/4885GAA 388/4885

“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.