SCHEMBL3354551

SCHEMBL3354551

COc1cccc(S(=O)(=O)Nc2ccc3c(c2)CN(C)CCO3)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.57
TRIM24 O15164 1/20 0.54
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 4/20 0.51
LMNA P02545 3/20 0.51
PKLR P30613 1/20 0.51
PGR P06401 2/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.46

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
SCHEMBL3357543 0.86 HPGD (0.54) BRD4TRIM24ALDH1A1SMN1; SMN2PKM
SCHEMBL3351099 0.85 PKM (0.48) BRD4TRIM24ALDH1A1SMN1; SMN2PKM
SCHEMBL4784250 0.81 MAPT (0.70) ALDH1A1SMN1; SMN2PKMLMNAPKLR
SCHEMBL3354096 0.80 DRD2 (0.61) TRIM24ALDH1A1SMN1; SMN2PKMLMNA
SCHEMBL3356099 0.80 HTR6 (0.52) TRIM24ALDH1A1SMN1; SMN2PKMLMNA
SCHEMBL3352171 0.76 ALDH1A1 (0.51) ALDH1A1PKMLMNAPGRMAPT
SCHEMBL3358875 0.76 ALDH1A1 (0.47) BRD4ALDH1A1PKMPGRGAA
SCHEMBL14721382 0.74 BRD4 (0.69) BRD4TRIM24ALDH1A1SMN1; SMN2PKM
SCHEMBL14722491 0.73 BRD4 (1.00) BRD4PKM
SCHEMBL4873426 0.71 PGR (0.55) BRD4TRIM24ALDH1A1SMN1; SMN2PKM

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-20100105657-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease ASTRAZENECA AB (SE) 2010-04-29 US claimed
EP-1910321-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE AstraZeneca AB (SE) 2008-04-16 EP claimed
WO-2007004959-A1 NEW COMPOUNDS, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OF 5-HT6 MEDIATED DISORDERS SUCH AS ALZHEIMER'S DISEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE ASTRAZENECA AB (SE) 2007-01-11 WO claimed
US-20100105657-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease ASTRAZENECA AB (SE) 2010-04-29 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-20100105657-A1 Compounds, Process for their Preparation, Intermediates, Pharmaceutical Compositions and their use in the Treatment of 5-HT6 Mediated Disorders such as Alzheimer's Disease, Cognitive Disorders, Cognitive Impairment Associated with Schizophrenia, Obesity and Parkinson's Disease HTR6, HTR3B, HTR5A BRD4 3185/4885TRIM24 4764/4885ALDH1A1 966/4885

“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.