SCHEMBL2989665

SCHEMBL2989665

O=C1NCCCc2ccc(S(=O)(=O)Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.50
PARP1 P09874 6/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 1/20 0.43
PARP11 Q9NR21 4/20 0.40
PDPK1 O15530 1/20 0.40
MAPKAPK2 P49137 1/20 0.38
CDC7 O00311 1/20 0.37
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GSK3B P49841 2/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
MET P08581 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL1199335 0.91 PARP10 (0.61) PARP10PARP1F7F3PARP11
SCHEMBL2404788 0.80 CA12 (0.54) CA12CA1CA2CA9CA7
SCHEMBL31743097 0.78 PARP10 (0.81) PARP10PARP1F7F3PARP11
SCHEMBL19838574 0.78 PARP10 (0.81) PARP10PARP1F7F3PARP11
SCHEMBL19682813 0.78 MAOA (0.47) CA12CA1CA2CA7CA14
SCHEMBL6369671 0.77 TDP1 (0.44) PARP10PARP1F7F3CA12
SCHEMBL3362013 0.76 CA12 (0.71) CA12CA1CA2CA9CA7
SCHEMBL2985807 0.75 FABP6 (0.60) MAPKAPK2KDM4EGSK3BJAK2NTRK1
SCHEMBL10201434 0.74 PARP1 (0.56) PARP10PARP1F7F3PARP11
SCHEMBL19838786 0.74 PARP10 (0.81) PARP10PARP1F7F3PARP11

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-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
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 disclosed
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 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 PARP10 2437/4885PARP1 3221/4885F7 2332/4885

“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.