SCHEMBL6588948

SCHEMBL6588948

Cc1cc(C)c(CC#N)c(C)c1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.32
SLC11A2 P49281 1/20 0.32
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
HTR1D P28221 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
MAPK1 P28482 1/20 0.30

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 0.85 PGK1 (0.40) HTTSLC11A2GAAHTR1DPGK1
SCHEMBL6589242 0.80 SLC11A2 (0.35) SLC11A2HTR1DPGK1PGK2
SCHEMBL28202789 0.80 ALDH1A1 (0.34) ALDH1A1MAPTHTTCYP3A4TSHR
SCHEMBL1823441 0.76 ALDH1A1 (0.32) ALDH1A1HTTGAALMNAPGK1
SCHEMBL13681536 0.72 TDP1 (0.44) ALDH1A1MAPTHTTCYP3A4TSHR
SCHEMBL8793007 0.72 MEN1 (0.38) MAPTCYP3A4PGK1PGK2
SCHEMBL1022724 0.72 ATM (0.38) ALDH1A1TSHRTDP1KDM4EPOLB
SCHEMBL262306 0.69 ALDH1A1 (0.56) ALDH1A1MAPTHTTCYP3A4TSHR
SCHEMBL6589823 0.69 CYP3A4 (0.36) ALDH1A1MAPTCYP3A4TSHRTP53
SCHEMBL18856726 0.69 GLA (0.35) ALDH1A1MAPTTSHRTP53KDM4E

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 4434/4885MAPT 4528/4885HTT 2533/4885
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 ALDH1A1 4434/4885MAPT 4528/4885HTT 2533/4885

“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.