SCHEMBL7198639

SCHEMBL7198639

CC(N)C(O)c1ccccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
LMNA P02545 3/20 0.52
ADRA2A P08913 2/20 0.52
HIF1A Q16665 2/20 0.52
ADRA2C P18825 1/20 0.52
ALDH1A1 P00352 1/20 0.50
CYP2D6 P10635 3/20 0.43
ADRA1A P35348 2/20 0.43
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ADRB1 P08588 1/20 0.40
MIF P14174 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL11606150 0.84 CYP3A4 (0.44) KDM4ELMNAADRA2AHIF1AADRA2C
SCHEMBL251912 0.83 CYP3A4 (0.42) KDM4ELMNAADRA2AHIF1AADRA2C
SCHEMBL29528763 0.83 CYP3A4 (0.42) KDM4ELMNAADRA2AHIF1AADRA2C
SCHEMBL253023 0.83 CYP3A4 (0.42) KDM4ELMNAADRA2AHIF1AADRA2C
SCHEMBL253024 0.83 CYP3A4 (0.42) KDM4ELMNAADRA2AHIF1AADRA2C
SCHEMBL251914 0.83 CYP3A4 (0.42) KDM4ELMNAADRA2AHIF1AADRA2C
SCHEMBL29528605 0.83 CYP3A4 (0.42) KDM4ELMNAADRA2AHIF1AADRA2C
SCHEMBL251913 0.83 CYP3A4 (0.42) KDM4ELMNAADRA2AHIF1AADRA2C
SCHEMBL287535 0.82 CYP2D6 (0.45) KDM4ELMNAADRA2AHIF1AADRA2C
SCHEMBL5581682 0.82 CYP2D6 (0.45) KDM4ELMNAADRA2AHIF1AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030026799-A1 Compositions and methods for the treatment and prevention of cardiovascular diseases and disorders, and for identifying agents therapeutic therefor MEDLYTE, INC. 2003-02-06 US disclosed
EP-0842148-A1 BENZENESULPHONAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USES THEREOF SYNTHELABO (FR) 1998-05-20 EP disclosed
WO-1997006136-A1 BENZENESULPHONAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USES THEREOF SYNTHELABO (FR) 1997-02-20 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 (1 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-20030026799-A1 Compositions and methods for the treatment and prevention of cardiovascular diseases and disorders, and for identifying agents therapeutic therefor SPHK1, SGPL1, SGMS1 KDM4E 4788/4885LMNA 414/4885ADRA2A 1580/4885

“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.