SCHEMBL6589859

SCHEMBL6589859

Cc1cc(C)c(N)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 9/20 0.40
TDP1 Q9NUW8 3/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
TSHR P16473 6/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38
XDH P47989 1/20 0.38
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9475769 0.88 XDH (0.41) KDM4EALDH1A1TDP1KMT2APOLB
Nitrogen SCHEMBL28154834 0.86 XDH (0.40) KDM4EALDH1A1TDP1KMT2APOLB
Hydrochloric Acid SCHEMBL28042811 0.86 XDH (0.40) KDM4EALDH1A1TDP1KMT2APOLB
SCHEMBL20670581 0.80 XDH (0.53) KDM4EALDH1A1TDP1KMT2APOLB
SCHEMBL27558711 0.80 TRPV4 (0.38) KDM4EALDH1A1TDP1KMT2APOLB
SCHEMBL11685893 0.80 ALDH1A1 (0.37) KDM4EALDH1A1TDP1KMT2APOLB
SCHEMBL28091089 0.79 KDM4E (0.42) KDM4EALDH1A1TDP1KMT2APOLB
SCHEMBL12225147 0.78 ALDH1A1 (0.36) KDM4EALDH1A1TDP1KMT2AMAPT
SCHEMBL30937561 0.78 ALDH1A1 (0.36) KDM4EALDH1A1TDP1KMT2AMAPT
SCHEMBL404723 0.78 ADRB2 (0.45) KDM4EALDH1A1KMT2AMAPTTSHR

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
WO-2019018562-A1 AMIDO COMPOUNDS AS AhR MODULATORS IDEAYA BIOSCIENCES, INC. (US) 2019-01-24 WO disclosed
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 KDM4E 2082/4885ALDH1A1 4434/4885TDP1 2024/4885
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 KDM4E 2082/4885ALDH1A1 4434/4885TDP1 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.