SCHEMBL3356845

SCHEMBL3356845

O=S(=O)(Nc1ccc2c(c1)CNCCO2)c1cccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.45
GHSR Q92847 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SGK1 O00141 1/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
IDH1 O75874 1/20 0.40
PTGES2 Q9H7Z7 2/20 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
SCHEMBL3355408 0.89 HTR6 (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3357048 0.89 KMT2A (0.42) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL3356052 0.83 WDR5 (0.47) ALDH1A1LMNAMEN1HPGDKMT2A
SCHEMBL3354337 0.81 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3354474 0.81 HTR6 (0.51) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL3356837 0.80 HTR6 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3358865 0.80 HTR6 (0.54) PGRGHSRALDH1A1LMNAMEN1
SCHEMBL3354028 0.80 SSTR4 (0.40) PGRGHSRALDH1A1SGK1PTGES2
SCHEMBL3350471 0.79 CYP1A2 (0.70) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3352171 0.79 ALDH1A1 (0.51) PGRGHSRALDH1A1LMNACYP1A2

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
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
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 disclosed
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 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 PGR 3175/4885GHSR 950/4885ALDH1A1 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.