SCHEMBL6743197

SCHEMBL6743197

O=[N+]([O-])c1cc(N2CCNCC2)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.66
KIF18A Q8NI77 1/20 0.55
MAPT P10636 3/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 1/20 0.52

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 0.95 HTR6 (0.61) HTR6KIF18AMAPTRECQLALDH1A1
SCHEMBL7048761 0.84 KIF18A (0.57) HTR6KIF18AMAPTALDH1A1MAPK1
SCHEMBL7048759 0.84 KIF18A (0.57) HTR6KIF18AMAPTALDH1A1MAPK1
SCHEMBL6741374 0.84 HTR6 (0.68) HTR6MAPTRECQLALDH1A1MAPK1
SCHEMBL20485034 0.80 HTR6 (0.72) HTR6
SCHEMBL18553730 0.80 HTR6 (0.72) HTR6
SCHEMBL6743370 0.80 HTR6 (1.00) HTR6
SCHEMBL4573254 0.78 HTR6 (1.00) HTR6ALDH1A1
SCHEMBL6744104 0.77 MAPT (0.58) HTR6KIF18AMAPTALDH1A1MAPK1
SCHEMBL28954967 0.77 MAPT (0.75) HTR6MAPTRECQLALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1217938-C Bis-arylsulfones PHARMACIA & UP JOHN CO (US) 2005-09-07 CN 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
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 (5 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 221/4885KIF18A 1960/4885MAPT 204/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885KIF18A 3988/4885MAPT 285/4885
US-20020115660-A1 Bis -arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885KIF18A 3988/4885MAPT 285/4885
US-20030225065-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885KIF18A 3988/4885MAPT 285/4885
US-20040014966-A1 Bis-arylsulfones NPSR1, ARSA, SLC18A2 HTR6 69/4885KIF18A 4440/4885MAPT 1505/4885

“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.