SCHEMBL6404679

SCHEMBL6404679

NN1C(=O)CCN(c2ccc(F)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRM3 Q14832 1/20 0.41
HDAC1 Q13547 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 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
SCHEMBL6406709 0.84 CTSG (0.46) RAB9ADRD2DRD3ALDH1A1LMNA
SCHEMBL6399376 0.83 DRD2 (0.43) RAB9ADRD2DRD3ALDH1A1LMNA
SCHEMBL6399679 0.83 DRD2 (0.43) RAB9ADRD2DRD3PKMLMNA
SCHEMBL6399716 0.82 MEN1 (0.59) RAB9ADRD2DRD3ALDH1A1LMNA
SCHEMBL12615119 0.81 RAB9A (0.51) RAB9ADRD2DRD3PKMALDH1A1
SCHEMBL18805067 0.81 RAB9A (0.51) RAB9ADRD2DRD3PKMALDH1A1
SCHEMBL6404669 0.81 DRD2 (0.48) DRD2DRD3ALDH1A1MAPTGFER
SCHEMBL5302238 0.77 RAB9A (0.56) RAB9ADRD2DRD3PKMALDH1A1
SCHEMBL1533117 0.74 NOX4 (0.51) RAB9ADRD2DRD3ALDH1A1LMNA
SCHEMBL6404666 0.73 MEN1 (0.56) ALDH1A1SMN1; SMN2

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 RAB9A 1891/4885DRD2 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.