SCHEMBL6401435

SCHEMBL6401435

Cc1cccc(N2CCC(=O)N(N)C2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
ALOX5 P09917 2/20 0.47
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
HSD11B1 P28845 3/20 0.44
HSP90AA1 P07900 1/20 0.42
MGLL Q99685 1/20 0.42
HSD17B10 Q99714 3/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GLA P06280 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42

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
SCHEMBL9564052 0.84 L3MBTL1 (0.62) L3MBTL1DRD2DRD3ALOX5MAPT
SCHEMBL6401082 0.83 DRD2 (0.47) DRD2DRD3ALOX5MAPTALDH1A1
SCHEMBL25575682 0.83 L3MBTL1 (0.54) L3MBTL1DRD2DRD3ALOX5MAPT
SCHEMBL6404669 0.82 DRD2 (0.48) L3MBTL1DRD2DRD3ALOX5MAPT
SCHEMBL6399679 0.81 DRD2 (0.43) DRD2DRD3ALOX5MAPTGAA
SCHEMBL6399716 0.80 MEN1 (0.59) DRD2DRD3ALOX5ALDH1A1KDM4E
SCHEMBL1750871 0.75 L3MBTL1 (0.56) L3MBTL1DRD2DRD3ALOX5MAPT
SCHEMBL1459903 0.74 ALDH1A1 (0.62) L3MBTL1DRD2DRD3ALOX5ALDH1A1
SCHEMBL8256209 0.74 DRD2 (0.59) L3MBTL1DRD2DRD3ALOX5HSD11B1
SCHEMBL12795836 0.73 L3MBTL1 (0.57) L3MBTL1DRD2DRD3ALOX5MAPT

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-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US claimed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP claimed
US-20050054696-A1 Indole compounds and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-10 US disclosed
EP-1452526-A1 INDOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 EP 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-20050054696-A1 Indole compounds and medicinal use thereof IDO1, GPR119, SLC5A1 L3MBTL1 1728/4885DRD2 1723/4885DRD3 2242/4885

“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.