SCHEMBL2994445

SCHEMBL2994445

O=S(=O)(Nc1ccc(Cl)c2ccccc12)c1ccc2c(c1)CNCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
PKM P14618 3/20 0.46
MAPT P10636 2/20 0.44
DNMT1 P26358 1/20 0.43
DNMT3A Q9Y6K1 1/20 0.43
BRD4 O60885 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.41
PNMT P11086 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KEAP1 Q14145 3/20 0.40
NFE2L2 Q16236 3/20 0.40
HPGD P15428 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
IDO1 P14902 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL2979552 0.83 HTR2C (0.50) HTR2CHTR2BPKMMAPTCYP2C9
SCHEMBL3356052 0.79 WDR5 (0.47) PKMMAPTBRD4ALDH1A1TSHR
SCHEMBL2987307 0.78 PKM (0.55) PKMMAPTBRD4CYP2C19ALDH1A1
SCHEMBL3354474 0.77 HTR6 (0.51) PKMMAPTBRD4CYP2C9CYP2C19
SCHEMBL29541905 0.76 PKM (0.61) PKMMAPTBRD4ALDH1A1KDM4E
SCHEMBL22234212 0.76 PKM (0.61) PKMMAPTBRD4ALDH1A1KDM4E
SCHEMBL3355408 0.75 HTR6 (0.48) PKMMAPTBRD4CYP2C9CYP2C19
SCHEMBL22252162 0.74 ALDH1A1 (0.67) MAPTCYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL29540849 0.74 ALDH1A1 (0.67) MAPTCYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL3353744 0.73 PKLR (0.65) PKMMAPTBRD4ALDH1A1PNMT

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-20100173890-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) 2010-07-08 US claimed
EP-1902041-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 DESEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON'S DISEASE AstraZeneca AB (SE) 2008-03-26 EP claimed
WO-2007004960-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 DESEASE, COGNITIVE DISORDERS, COGNITIVE IMPAIRMENT ASSOCIATED WITH SCHIZOPHRENIA, OBESITY AND PARKINSON’S DISEASE ASTRAZENECA AB (SE) 2007-01-11 WO claimed
US-20100173890-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) 2010-07-08 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-20100173890-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 HTR2C 11/4885HTR2B 18/4885PKM 1431/4885

“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.