SCHEMBL6589823

SCHEMBL6589823

Cc1cc(C)c(CN(C)C)c(C)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 2/20 0.35
SLC11A2 P49281 1/20 0.32
POLB P06746 3/20 0.32
BRD4 O60885 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
G6PD P11413 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 1/20 0.31
HKDC1 Q2TB90 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
SCHEMBL5177269 0.76 ALDH1A1 (0.38) CYP3A4ALDH1A1TDP1TSHRMAPT
SCHEMBL9689843 0.71 ALDH1A1 (0.46) CYP3A4ALDH1A1TDP1TSHRTP53
SCHEMBL262306 0.71 ALDH1A1 (0.56) CYP3A4ALDH1A1TDP1TSHRTP53
SCHEMBL11270624 0.71 KDM4E (0.45) CYP3A4ALDH1A1TDP1TSHRMAPT
SCHEMBL6971722 0.71 HPGD (0.36) ALDH1A1MAPTBRD4BRD9PGK1
SCHEMBL3199967 0.70 HTR1D (0.38) CYP3A4ALDH1A1TDP1TSHRMAPT
SCHEMBL2884631 0.70 CYP3A4 (0.32) CYP3A4MAPTUPP1
SCHEMBL6588948 0.69 ALDH1A1 (0.39) CYP3A4ALDH1A1TDP1TSHRTP53
SCHEMBL28202789 0.69 ALDH1A1 (0.34) CYP3A4ALDH1A1TDP1TSHRTP53
Ammonia Solution, Strong SCHEMBL2045015 0.69 ALDH1A1 (0.53) CYP3A4ALDH1A1TDP1TSHRTP53

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 CYP3A4 1652/4885ALDH1A1 4434/4885TDP1 2024/4885
US-20020091272-A1 Sulfonamides and derivatives thereof that modulate the activity of endothelin EDNRA, EDNRB, ECE1 CYP3A4 1652/4885ALDH1A1 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.