SCHEMBL5379596

SCHEMBL5379596

CCc1c[nH]c2c(N3CCCS3(=O)=O)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CDK2 P24941 1/20 0.34
GAA P10253 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
HTR2A P28223 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5379600 0.86 TSHR (0.40) HTR6TSHRALDH1A1USP2LMNA
SCHEMBL5226007 0.77 POLB (0.39) TP53CDK1CDK4CDK2GAA
SCHEMBL5223919 0.74 POLB (0.44) TSHRTP53HRH3GAAMAPT
SCHEMBL5390345 0.73 CTSD (0.42) TSHRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5390529 0.72 TSHR (0.43) HTR6TSHRALDH1A1USP2HTT
SCHEMBL5225325 0.71 ALDH1A1 (0.39) TP53ALDH1A1MAPT
SCHEMBL14667559 0.69 ALDH1A1 (0.60) TSHRALDH1A1USP2LMNAHTT
SCHEMBL5389474 0.68 TP53 (0.38) HTR6TP53ALDH1A1MAPT
SCHEMBL29117058 0.67 LMNA (0.43) HTR6ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL17553913 0.67 POLB (0.42) TP53ALDH1A1CDK1CDK4CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 HTR6 84/4885TSHR 4643/4885TP53 3868/4885

“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.