SCHEMBL4145495

SCHEMBL4145495

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 4/20 0.44
TGM1 P22735 4/20 0.44
NPY5R Q15761 4/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
SLC10A6 Q3KNW5 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.37
CYP19A1 P11511 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 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
SCHEMBL4145496 0.88 NPY5R (0.48) F13A1TGM1NPY5RMEN1KMT2A
SCHEMBL4127772 0.87 KMT2A (0.42) MEN1KMT2AALDH1A1SLC10A6THRB
SCHEMBL4140333 0.79 HTT (0.40) F13A1TGM1NPY5RMEN1KMT2A
SCHEMBL4140336 0.79 HTT (0.40) F13A1TGM1NPY5RMEN1KMT2A
SCHEMBL4127774 0.74 KMT2A (0.45) MEN1KMT2AALDH1A1HTTSLC10A6
SCHEMBL7898704 0.74 NPY5R (0.50) F13A1TGM1NPY5RMEN1KMT2A
SCHEMBL7891048 0.73 NPY5R (0.54) F13A1TGM1NPY5RMEN1KMT2A
SCHEMBL31284709 0.72 KMT2A (0.68) F13A1TGM1NPY5RMEN1KMT2A
SCHEMBL9893363 0.71 KMT2A (0.50) F13A1TGM1NPY5RMEN1KMT2A
SCHEMBL9893364 0.71 KMT2A (0.50) F13A1TGM1NPY5RMEN1KMT2A

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 F13A1 4183/4885TGM1 2807/4885NPY5R 298/4885

“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.