SCHEMBL4127772

SCHEMBL4127772

COC[CH]CN(CCCCN(C)S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)NC(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPSR1 Q6W5P4 2/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
SLC10A6 Q3KNW5 1/20 0.35
VCAM1 P19320 1/20 0.35
HSD11B1 P28845 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.34
LMNA P02545 3/20 0.34
BDKRB1 P46663 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MMP1 P03956 1/20 0.34

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
SCHEMBL4127774 0.87 KMT2A (0.45) KMT2AMEN1NPSR1F2PRSS1
SCHEMBL4145495 0.87 F13A1 (0.44) KMT2AMEN1SLC10A6THRBLMNA
SCHEMBL4135960 0.83 LMNA (0.43) HSD11B1LMNABDKRB1ALDH1A1POLB
SCHEMBL4135320 0.78 KMT2A (0.39) KMT2AMEN1NPSR1TDP1LMNA
SCHEMBL4135313 0.78 KMT2A (0.39) KMT2AMEN1NPSR1TDP1LMNA
SCHEMBL4145496 0.74 NPY5R (0.48) KMT2AMEN1SLC10A6THRBALDH1A1
SCHEMBL3100214 0.71 KMT2A (0.55) KMT2AMEN1NPSR1F2PRSS1
SCHEMBL27816041 0.71 KMT2A (0.63) KMT2AMEN1NPSR1VCAM1THRB
SCHEMBL1980743 0.70 MEN1 (0.56) KMT2AMEN1NPSR1F2PRSS1
SCHEMBL1980741 0.70 MEN1 (0.56) KMT2AMEN1NPSR1F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 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-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 KMT2A 2725/4885MEN1 2731/4885NPSR1 209/4885

“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.