SCHEMBL1114152

SCHEMBL1114152

N#Cc1ccc(N2CCNCC2)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
RECQL P46063 1/20 0.60
ALDH1A1 P00352 6/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 1/20 0.55
ADRB1 P08588 1/20 0.54
SIRT6 Q8N6T7 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
HTT P42858 2/20 0.53
CYP2C9 P11712 1/20 0.53
VCAM1 P19320 1/20 0.50
HTR6 P50406 5/20 0.49
DRD2 P14416 1/20 0.49
DRD3 P35462 1/20 0.49
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL4301297 0.87 MAPT (0.59) MAPTALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL12733342 0.86 MAPT (0.61) MAPTALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL7988037 0.84 MAPT (0.62) MAPTRECQLALDH1A1POLBSMN1; SMN2
SCHEMBL82777 0.83 MAPT (0.60) MAPTALDH1A1SMN1; SMN2MAPK1HTT
SCHEMBL30307826 0.82 MAPT (0.75) MAPTRECQLALDH1A1POLBSMN1; SMN2
SCHEMBL28954967 0.82 MAPT (0.75) MAPTRECQLALDH1A1POLBSMN1; SMN2
SCHEMBL16318378 0.80 VCAM1 (0.50) MAPTRECQLALDH1A1SMN1; SMN2SIRT6
SCHEMBL16318379 0.80 VCAM1 (0.50) MAPTRECQLALDH1A1SMN1; SMN2SIRT6
SCHEMBL10058378 0.79 LMNA (0.46) MAPTALDH1A1SIRT6CYP1A2CYP2C19
SCHEMBL2709917 0.79 DRD2 (0.60) MAPTALDH1A1SMN1; SMN2ADRB1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094672-B1 ARYLSULFONAMIDE COMPOUNDS GENENTECH INC (US) 2013-05-29 EP disclosed
US-8168645-B2 Arylsulfonamide compounds GENENTECH, INC. (US) 2012-05-01 US disclosed
US-8168645-B2 Arylsulfonamide compounds GENENTECH, INC. (US) 2012-05-01 US disclosed
CN-102105449-A Arylsulfonamide compounds, compositions and methods of use GENENTECH INC 2011-06-22 CN disclosed
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 US disclosed
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 US disclosed
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAELL JONATHAN BAYLDON 2011-04-28 US disclosed
EP-2279174-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2010-03-04 US disclosed
US-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS GENENTECH, INC. (US) 2010-03-04 US disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 WO disclosed
WO-2009143246-A2 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2009-11-26 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-20100056517-A1 ARYLSULFONAMIDE COMPOUNDS BCL2A1, BCL2, BAX MAPT 4408/4885RECQL 2308/4885ALDH1A1 4286/4885
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 MAPT 4404/4885RECQL 3242/4885ALDH1A1 4380/4885

“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.