SCHEMBL6587785

SCHEMBL6587785

Cc1cc(C)c([N+](=O)[O-])c(C)c1CC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
GRIN2D O15399 3/20 0.35
GRIN3B O60391 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN3A Q8TCU5 3/20 0.35
TRPM8 Q7Z2W7 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 2/20 0.31
HTT P42858 1/20 0.31
VCAM1 P19320 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3255126 0.78 PGK1 (0.40) HTT
SCHEMBL23045625 0.77 ALDH1A1 (0.39) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL10749672 0.77 ALDH1A1 (0.39) ALDH1A1HPGDTDP1GRIN2DGRIN3B
SCHEMBL6589897 0.77 ALDH1A1 (0.39) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL4918988 0.75 TDP1 (0.52) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
SCHEMBL24562672 0.74 ALDH1A1 (0.40) ALDH1A1HPGDTDP1KMT2AMEN1
SCHEMBL13681470 0.73 ALDH1A1 (0.44) ALDH1A1HPGDTDP1GRIN2DGRIN3B
SCHEMBL11371655 0.72 ALDH1A1 (0.51) ALDH1A1HPGDTDP1KMT2AMEN1
SCHEMBL14020980 0.72 ALDH1A1 (0.48) ALDH1A1TDP1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL10752050 0.71 ALDH1A1 (0.39) ALDH1A1HPGDTDP1TRPM8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946552-B1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC (US) 2004-07-07 EP disclosed
US-20030208084-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2003-11-06 US disclosed
US-6632829-B2 Thienyl, furyl and pyrrolyl-sulfonamides, useful for treating hypertension, cardiovascular disease, asthma, pulmonary hypertension, inflammatory diseases, vision defects, menstrual disorders, renal failure and other diseases TEXAS BIOTECHNOLOGY CORP. 2003-10-14 US disclosed
EP-1342721-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. (US) 2003-09-10 EP disclosed
US-6420567-B1 PRODRUGS TEXAS BIOTECHNOLOGY CORPORATION 2002-07-16 US disclosed
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-11 US disclosed
EP-0946552-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-06 EP disclosed
WO-1998013366-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-04-02 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-20030208084-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 ALDH1A1 4434/4885HPGD 1427/4885TDP1 2024/4885
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 ALDH1A1 4434/4885HPGD 1427/4885TDP1 2024/4885

“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.