SCHEMBL6006580

SCHEMBL6006580

NS(=O)(=O)c1ccc(OC(CCCl)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.55
CA1 P00915 10/20 0.55
CA2 P00918 10/20 0.55
CA9 Q16790 10/20 0.55
CA7 P43166 9/20 0.55
SOS1 Q07889 1/20 0.49
CA4 P22748 6/20 0.47
CA5A P35218 6/20 0.47
CA5B Q9Y2D0 6/20 0.47
SLC6A9 P48067 1/20 0.46
SLC6A4 P31645 4/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A3 Q01959 2/20 0.45
KCNK2 O95069 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SLC7A5 Q01650 2/20 0.42

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
SCHEMBL27327439 0.82 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL9501066 0.82 SLC6A4 (0.61) CA12CA1CA2CA9CA7
SCHEMBL6004073 0.81 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL8202643 0.81 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Sulfuric Acid SCHEMBL9500009 0.79 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL6004079 0.79 SLC6A4 (0.51) SLC6A9SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL5661362 0.79 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL6006329 0.79 SLC6A4 (0.51) SLC6A9SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL6007100 0.79 SLC6A4 (0.51) SLC6A9SLC6A4SLC6A2SLC6A3KCNK2
SCHEMBL6006120 0.79 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KCNK2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. 2006-12-21 US disclosed
EP-1014966-B1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2006-08-02 EP disclosed
US-7019024-B2 Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALLELIX NEUROSCIENCE INC. (US) 2006-03-28 US disclosed
CN-1327383-A Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALERICS NEUROSCIENCE CO (US) 2001-12-19 CN disclosed
EP-1014966-A4 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS ALLELIX NEUROSCIENCE INC (US) 2001-10-04 EP disclosed
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders NPS PHARMACEUTICALS, INC. 2001-08-09 US disclosed
US-6191165-B1 ANTIDEPRESSANTS; SCHIZOPHRENIA; ALZHEIMER'S DISEASE; ANTIEPILEPTIC AGENTS ALLELIX NEUROSCIENCE INC. 2001-02-20 US disclosed
EP-1014966-A1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Allelix Neuroscience Inc. (US) 2000-07-05 EP disclosed
WO-1997045115-A1 PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS TROPHIX PHARMACEUTICALS, INC. (US) 1997-12-04 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 (2 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-20060287298-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC18A2, SLC6A1, SLC6A11 CA12 996/4885CA1 984/4885CA2 1441/4885
US-20010012857-A1 Pharmaceutical for treatment of neurological and neuropsychiatric disorders SLC6A1, SLC18A2, SLC6A11 CA12 1284/4885CA1 713/4885CA2 1520/4885

“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.