SCHEMBL9893364

SCHEMBL9893364

C=CCN(CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPY5R Q15761 4/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.46
F13A1 P00488 4/20 0.45
TGM1 P22735 4/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
CYP19A1 P11511 1/20 0.45
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL9893363 1.00 KMT2A (0.50) KMT2AMEN1NPY5RALDH1A1HTT
SCHEMBL28617709 0.79 KMT2A (0.57) KMT2AMEN1NPY5RALDH1A1HTT
SCHEMBL31284709 0.77 KMT2A (0.68) KMT2AMEN1NPY5RALDH1A1HTT
SCHEMBL27006685 0.77 KMT2A (0.68) KMT2AMEN1NPY5RALDH1A1HTT
SCHEMBL29571128 0.77 KMT2A (0.68) KMT2AMEN1NPY5RALDH1A1HTT
SCHEMBL4163164 0.77 KMT2A (0.57) KMT2AMEN1NPY5RALDH1A1HTT
SCHEMBL15548952 0.77 MEN1 (0.61) KMT2AMEN1NPY5RALDH1A1HTT
SCHEMBL18319951 0.76 KMT2A (0.60) KMT2AMEN1NPY5RALDH1A1HTT
SCHEMBL10240183 0.76 KMT2A (0.60) KMT2AMEN1NPY5RALDH1A1HTT
SCHEMBL357662 0.76 CYP19A1 (0.59) KMT2AMEN1ALDH1A1HTTCA1

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-20120146264-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND PROCESS FOR MAKING RELIEF PRINTING PLATE FUJIFILM CORPORATION (JP) 2012-06-14 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-20120146264-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RELIEF PRINTING PLATE PRECURSOR FOR LASER ENGRAVING AND PROCESS FOR PRODUCING SAME, AND PROCESS FOR MAKING RELIEF PRINTING PLATE EIF3L, EIF2B1, EIF2B5 KMT2A 506/4885MEN1 3535/4885NPY5R 1733/4885

“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.