SCHEMBL5635129

SCHEMBL5635129

N#Cc1ccc(-c2[nH]c3ccccc3c2C=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
TDO2 P48775 1/20 0.47
AHR P35869 2/20 0.43
GSK3B P49841 3/20 0.41
IDO1 P14902 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 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
2-Phenyl-1H-Indole-3-Carbaldehyde SCHEMBL1429713 0.82 ESR1 (0.55) AHRGSK3BMAPTALDH1A1MEN1
SCHEMBL22118368 0.81 MEN1 (0.49) DRD2HTR2AHTR2CTDO2MAPT
SCHEMBL5636398 0.80 CCNB2 (0.54) DRD2HTR2AHTR2CAHRMAPT
SCHEMBL2559637 0.80 PTGS2 (0.55) AHRGSK3BMAPTPDE9APDE1C
SCHEMBL2062029 0.80 PTGS2 (0.54) DRD2HTR2AHTR2CAHRMAPT
SCHEMBL14519076 0.78 GSK3B (0.53) AHRGSK3BMAPTKDM4EALDH1A1
SCHEMBL5635478 0.77 ALDH1A1 (0.65) DRD2HTR2AHTR2CTDO2MAPT
SCHEMBL5635476 0.77 ALDH1A1 (0.65) DRD2HTR2AHTR2CTDO2MAPT
SCHEMBL2062446 0.76 MAPK14 (0.51) TDO2AHRGSK3BIDO1MAPT
SCHEMBL29951958 0.76 MAPK14 (0.51) TDO2AHRGSK3BIDO1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010559-A1 Indole derivatives for use as chemical uncoupler NOVO NORDISK A/S (DK) 2007-01-11 US disclosed
US-20070010559-A1 Indole derivatives for use as chemical uncoupler NOVO NORDISK A/S (DK) 2007-01-11 US disclosed
US-20070010559-A1 Indole derivatives for use as chemical uncoupler NOVO NORDISK A/S (DK) 2007-01-11 US disclosed
EP-1689710-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2006-08-16 EP disclosed
WO-2005051908-A1 INDOLE DERIVATIVES FOR USE AS CHEMICAL UNCOUPLER NOVO NORDISK A/S (DK) 2005-06-09 WO 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-20070010559-A1 Indole derivatives for use as chemical uncoupler GPR119, IDO2, IDO1 DRD2 626/4885HTR2A 77/4885HTR2C 44/4885

“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.