SCHEMBL3741198

SCHEMBL3741198

[CH2]N1CCN(S(=O)(=O)C(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
PARP1 P09874 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GBA1 P04062 1/20 0.31
CYP17A1 P05093 2/20 0.30
CYP21A2 P08686 2/20 0.30
GAA P10253 1/20 0.30
CYP11B1 P15538 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 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
SCHEMBL13100462 0.87
SCHEMBL12251504 0.78 POLB (0.41) EPHX2NAMPTALDH1A1POLBNPSR1
SCHEMBL5405216 0.77 EPHX2 (0.44) EPHX2ALDH1A1POLBCYP3A4KMT2A
SCHEMBL16022965 0.77 EPHX2 (0.44) EPHX2NAMPTALDH1A1POLBL3MBTL1
SCHEMBL26203636 0.76 LMNA (0.47) EPHX2NAMPTALDH1A1CYP3A4CYP3A5
SCHEMBL19369112 0.76 EPHX2 (0.38) EPHX2NAMPTALDH1A1CYP3A4CYP3A5
SCHEMBL18896297 0.76 EPHX2 (0.38) EPHX2NAMPTALDH1A1POLBCYP3A4
SCHEMBL18711923 0.76 PIK3CD (0.47) EPHX2NAMPTALDH1A1POLBNPSR1
SCHEMBL24735804 0.75 CA1 (0.48) EPHX2ALDH1A1POLBCYP3A4KMT2A
SCHEMBL15893903 0.75 CA1 (0.48) EPHX2ALDH1A1POLBCYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US 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-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 EPHX2 3695/4885NAMPT 3645/4885ALDH1A1 3619/4885

“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.