SCHEMBL6399716

SCHEMBL6399716

NN1C(=O)CCN(c2ccccc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
KMT2A Q03164 1/20 0.59
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CTSG P08311 2/20 0.40
CMA1 P23946 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
ALOX5 P09917 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL6107438 0.82 NPC1 (0.54) MEN1NPC1RAB9AKMT2ACTSG
SCHEMBL6399376 0.82 DRD2 (0.43) RAB9ADDB1CRBNDRD2DRD3
SCHEMBL6399679 0.82 DRD2 (0.43) MEN1NPC1RAB9AKMT2ADDB1
SCHEMBL6404679 0.82 RAB9A (0.51) RAB9ADDB1CRBNDRD2DRD3
SCHEMBL6401082 0.82 DRD2 (0.47) MEN1KMT2ADRD2DRD3CTSG
SCHEMBL6401435 0.80 L3MBTL1 (0.53) DRD2DRD3ALOX5KDM4EALDH1A1
SCHEMBL6404669 0.80 DRD2 (0.48) MEN1KMT2ADDB1CRBNDRD2
SCHEMBL136822 0.80 NPC1 (0.60) MEN1NPC1RAB9AKMT2ADDB1
SCHEMBL6366743 0.79 MEN1 (0.61) MEN1NPC1RAB9AKMT2ADDB1
SCHEMBL6418503 0.78 MEN1 (0.59) MEN1NPC1RAB9AKMT2ADDB1

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 MEN1 1510/4885NPC1 706/4885RAB9A 1891/4885

“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.