SCHEMBL1114019

SCHEMBL1114019

CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPT P10636 2/20 0.63
MET P08581 1/20 0.48
RET P07949 2/20 0.47
NR1H2 P55055 2/20 0.46
NR1H3 Q13133 2/20 0.46
PDK2 Q15119 1/20 0.45
EGLN2 Q96KS0 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 6/20 0.43
NAMPT P43490 1/20 0.43
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL9343184 0.91 LMNA (0.63) LMNAALDH1A1MAPTMETRET
SCHEMBL16270620 0.86 MAPT (0.71) LMNAALDH1A1MAPTMETPDK2
SCHEMBL29858317 0.86 MAPT (0.71) LMNAALDH1A1MAPTMETPDK2
SCHEMBL5216622 0.84 MAPT (0.68) LMNAALDH1A1MAPTMETPDK2
SCHEMBL16665290 0.84 ALDH1A1 (0.68) LMNAALDH1A1MAPTMETPDK2
SCHEMBL28978026 0.83 MAPT (0.67) LMNAALDH1A1MAPTMETPDK2
SCHEMBL16270621 0.83 MAPT (0.70) LMNAALDH1A1MAPTMETPDK2
SCHEMBL20339075 0.83 MAPT (0.67) LMNAALDH1A1MAPTMETPDK2
SCHEMBL29355899 0.83 MAPT (0.67) LMNAALDH1A1MAPTMETPDK2
SCHEMBL20352127 0.83 MAPT (0.67) LMNAALDH1A1MAPTMETPDK2

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
US-9073900-B2 Dihydroquinone derivatives of piperidine and piperazine KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-07-07 US disclosed
US-20150094467-A1 DIHYDROQUINONE DERIVATIVES OF PIPERIDINE AND PIPERAZINE KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2015-04-02 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 LMNA 792/4885ALDH1A1 4286/4885MAPT 4408/4885
US-20110098305-A1 ARYLSULFONAMIDE COMPOUNDS, COMPOSITIONS AND METHODS OF USE BAX, API5, BCL2 LMNA 325/4885ALDH1A1 4380/4885MAPT 4404/4885
US-20150094467-A1 DIHYDROQUINONE DERIVATIVES OF PIPERIDINE AND PIPERAZINE HTR2C, HTR5A, HTR2A LMNA 1586/4885ALDH1A1 209/4885MAPT 2861/4885

“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.