SCHEMBL5636554

SCHEMBL5636554

O=Cc1c(-c2ccccc2C(F)(F)F)[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.47
GSK3B P49841 2/20 0.41
PDE10A Q9Y233 1/20 0.40
AHR P35869 2/20 0.40
C1R P00736 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PARP1 P09874 1/20 0.38
CNR1 P21554 1/20 0.38
CHEK1 O14757 1/20 0.37
WEE1 P30291 1/20 0.37
TRPA1 O75762 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
SCHEMBL14519076 0.78 GSK3B (0.53) KIF11GSK3BAHRKDM4EMEN1
SCHEMBL4877585 0.76 PARP1 (0.45) KIF11GSK3BAHRKDM4EMEN1
SCHEMBL5635637 0.76 KIF11 (0.47) KIF11AHRPARP1CNR1
SCHEMBL10493559 0.76 KDM4E (0.45) KIF11GSK3BAHRKDM4EMEN1
SCHEMBL29363233 0.76 KDM4E (0.45) KIF11GSK3BAHRKDM4EMEN1
SCHEMBL8687816 0.74 AHR (0.61) KIF11AHRKDM4EMEN1MAPT
SCHEMBL22457398 0.73 AHR (0.56) GSK3BAHRMEN1MAPTKMT2A
2-Phenyl-1H-Indole-3-Carbaldehyde SCHEMBL1429713 0.72 ESR1 (0.55) GSK3BAHRMEN1MAPTKMT2A
SCHEMBL13848141 0.71 GSK3B (0.51) KIF11GSK3BAHRKDM4EMEN1
SCHEMBL989191 0.70 NFKB1 (0.44) KIF11KDM4EMEN1KMT2APIM1

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 KIF11 4162/4885GSK3B 2512/4885PDE10A 3933/4885

“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.