SCHEMBL6741374

SCHEMBL6741374

O=[N+]([O-])c1cc(N2CCCNCC2)ccc1S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.68
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.46
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL6744571 0.89 HTR6 (0.61) HTR6MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL6743197 0.84 HTR6 (0.66) HTR6MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL6744032 0.83 HTR6 (0.73) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL7045368 0.82 HTT (0.51) HTR6MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL7045372 0.82 HTT (0.51) HTR6MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL6743719 0.81 HTR6 (0.72) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL6745818 0.81 HTR6 (1.00) HTR6MAPTHTR1ADRD2HTR2A
SCHEMBL6744946 0.79 HTR6 (0.76) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL6745782 0.78 HTR6 (0.68) HTR6HTR1ADRD2HTR2AHTR7
SCHEMBL6741078 0.78 HTR6 (0.80) HTR6MAPTALDH1A1HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029865-A1 Sleep disorders; eating disorders; schizophrenia disorders; anxiolytic agents PHARMACIA & UPJOHN COMPANY 2004-02-12 US disclosed
US-20040014966-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2004-01-22 US disclosed
US-20030225065-A1 Bis-arylsulfones JACOBSEN ERIC JON (US) 2003-12-04 US disclosed
WO-2003099797-A1 SALTS OF BIS-ARYLSULFONES FOR THE TREATMENT OF CNS DISORDERS PHARMACIA & UPJOHN COMPANY (US) 2003-12-04 WO disclosed
US-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
US-6586592-B2 Labled isotopes of phenyl 4-(1,4-diazepin-1-yl)-2-amino phenyl sulfone derivatives used in nuclear magnetic resonance imaging and positron emission tomography PHARMACIA & UPJOHN COMPANY 2003-07-01 US disclosed
US-6579870-B2 5-(1,4-diazepan-1-yl)-2-((3 -fluorophenyl)sulfonyl)phenylamine for example; treatment of diseases or disorders of the central nervous system; modulation of serotonin (5-HT) activity PHARMACIA & UPJOHN COMPANY 2003-06-17 US disclosed
EP-1294701-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2003-03-26 EP disclosed
US-20020115660-A1 Bis -arylsulfones PHARMACIA & UPJOHN COMPANY 2002-08-22 US disclosed
US-20020037892-A1 Bis-arylsulfones PHARMACIA & UPJOHN COMPANY 2002-03-28 US disclosed
WO-2001098279-A2 BIS-ARYLSULFONES PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 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 (6 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-20030207866-A1 Drugs useful for the treatment of diseases or disorders of the central nervous system. PMP22, NLN, INA HTR6 221/4885MAPT 204/4885ALDH1A1 1320/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885MAPT 285/4885ALDH1A1 462/4885
US-20040029865-A1 Sleep disorders; eating disorders; schizophrenia disorders; anxiolytic agents HCRTR2, HCRTR1, CNR1 HTR6 76/4885MAPT 3221/4885ALDH1A1 1357/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885MAPT 285/4885ALDH1A1 462/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885MAPT 285/4885ALDH1A1 462/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 HTR6 69/4885MAPT 1505/4885ALDH1A1 1243/4885

“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.