SCHEMBL6744571

SCHEMBL6744571

O=[N+]([O-])c1cc(N2CCCNCC2)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.61
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KIF18A Q8NI77 1/20 0.51
RECQL P46063 1/20 0.50

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
SCHEMBL6743197 0.95 HTR6 (0.66) HTR6MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL6741374 0.89 HTR6 (0.68) HTR6MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL6743672 0.81 HTR6 (0.90) HTR6
SCHEMBL7048759 0.81 KIF18A (0.57) HTR6MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL7048761 0.81 KIF18A (0.57) HTR6MAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL6744120 0.79 HTR6 (0.91) HTR6
SCHEMBL6745754 0.79 HTR6 (0.91) HTR6MAPT
SCHEMBL6745337 0.76 HTR6 (0.92) HTR6MAPTALDH1A1
SCHEMBL6744966 0.76 HTR6 (0.71) HTR6
SCHEMBL20485034 0.76 HTR6 (0.72) HTR6

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-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 221/4885MAPT 204/4885ALDH1A1 1320/4885
US-20020037892-A1 Bis-arylsulfones PMP22, ARSA, CLN6 HTR6 35/4885MAPT 285/4885ALDH1A1 462/4885
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.