SCHEMBL5486616

SCHEMBL5486616

CCN(CC)C(=O)c1cccc2cc[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.58
PDPK1 O15530 1/20 0.57
BCHE P06276 3/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 1/20 0.49
GRM5 P41594 1/20 0.44
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BACE1 P56817 1/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43

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
SCHEMBL8290878 0.86 KEAP1 (0.47) KEAP1PDPK1BCHEKDM4EMAPT
SCHEMBL28600150 0.82 KEAP1 (0.64) KEAP1PDPK1BCHEKDM4EMAPT
SCHEMBL30088294 0.82 KEAP1 (0.64) KEAP1PDPK1BCHEKDM4EMAPT
SCHEMBL8300350 0.81 KEAP1 (0.54) KEAP1PDPK1BCHEKDM4EMAPT
SCHEMBL28844191 0.79 MAOA (0.47) KEAP1PDPK1BCHEKDM4EMAPT
SCHEMBL21898380 0.79 KEAP1 (0.64) KEAP1PDPK1BCHEKDM4EMAPT
SCHEMBL18937409 0.77 KEAP1 (0.57) KEAP1PDPK1BCHEKDM4EMAPT
SCHEMBL3790885 0.76 KEAP1 (0.70) KEAP1PDPK1BCHEKDM4EMAPT
SCHEMBL30690400 0.76 KEAP1 (0.70) KEAP1PDPK1BCHEKDM4EMAPT
SCHEMBL9144808 0.76 KEAP1 (0.60) KEAP1PDPK1BCHEKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217724-B2 Indole, indazole, and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-05-15 US disclosed
US-20060063762-A1 Indole indazole and benzazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514869-A1 INDOLE, INDAZOLE, AND BENZAZOLE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-03-16 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-20060063762-A1 Indole indazole and benzazole derivative ADRB3, ADRA2C, ADRB2 KEAP1 2583/4885PDPK1 1838/4885BCHE 1015/4885

“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.