SCHEMBL6404669

SCHEMBL6404669

NN1C(=O)CCN(c2cccc(F)c2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
ALOX5 P09917 1/20 0.44
POLB P06746 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FADS1 O60427 1/20 0.41
HTR2A P28223 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
GFER P55789 1/20 0.38
GRM5 P41594 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
SCHEMBL6401082 0.83 DRD2 (0.47) DRD2DRD3ALOX5ALDH1A1MAPT
SCHEMBL6401435 0.82 L3MBTL1 (0.53) DRD2DRD3ALOX5ALDH1A1GAA
SCHEMBL6404679 0.81 RAB9A (0.51) DRD2DRD3ALDH1A1MAPTDDB1
SCHEMBL6399716 0.80 MEN1 (0.59) DRD2DRD3ALOX5ALDH1A1GAA
SCHEMBL15025095 0.74 DRD2 (0.46) DRD2DRD3ALOX5POLBALDH1A1
SCHEMBL6404666 0.72 MEN1 (0.56) ALDH1A1MGLLMEN1KMT2AGRM5
SCHEMBL17993502 0.72 DRD2 (0.50) DRD2DRD3ALOX5POLBALDH1A1
SCHEMBL6399376 0.71 DRD2 (0.43) DRD2DRD3ALOX5ALDH1A1MAPT
SCHEMBL6399679 0.71 DRD2 (0.43) DRD2DRD3ALOX5GAAMAPT
SCHEMBL12534392 0.71 DRD2 (0.49) DRD2DRD3ALOX5POLBALDH1A1

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 DRD2 1723/4885DRD3 2242/4885ALOX5 926/4885

“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.