SCHEMBL5149362

SCHEMBL5149362

NCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.78
MEN1 O00255 3/20 0.78
CYP19A1 P11511 1/20 0.63
ALDH1A1 P00352 4/20 0.62
POLB P06746 2/20 0.61
CA2 P00918 2/20 0.58
CA1 P00915 1/20 0.58
MMP1 P03956 1/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
MMP8 P22894 1/20 0.58
MMP13 P45452 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CA5A P35218 1/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
EPHX2 P34913 1/20 0.54
F2 P00734 1/20 0.54
PRSS1 P07477 1/20 0.54

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
SCHEMBL5151920 0.95 MEN1 (0.74) KMT2AMEN1CYP19A1ALDH1A1POLB
Dinsed SCHEMBL1814194 0.88 KMT2A (1.00) KMT2AMEN1CYP19A1ALDH1A1POLB
SCHEMBL5152165 0.86 KMT2A (0.78) KMT2AMEN1CYP19A1ALDH1A1POLB
SCHEMBL2034554 0.86 KMT2A (0.78) KMT2AMEN1CYP19A1ALDH1A1POLB
SCHEMBL4031052 0.85 KMT2A (0.76) KMT2AMEN1CYP19A1ALDH1A1POLB
SCHEMBL4070269 0.85 KMT2A (0.76) KMT2AMEN1CYP19A1ALDH1A1POLB
SCHEMBL27625297 0.83 KMT2A (0.83) KMT2AMEN1CYP19A1ALDH1A1POLB
SCHEMBL3025870 0.83 KMT2A (0.83) KMT2AMEN1CYP19A1ALDH1A1POLB
SCHEMBL3973449 0.83 MEN1 (0.72) KMT2AMEN1CYP19A1ALDH1A1POLB
SCHEMBL6447029 0.82 MEN1 (0.67) KMT2AMEN1CYP19A1ALDH1A1POLB

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-7312225-B2 Macrocyclic pyrimidines, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2007-12-25 US disclosed
US-20040209895-A1 inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases SCHERING AG (DE) 2004-10-21 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-20040209895-A1 inhibit cyclin-dependent kinases and VEGF-receptor tyrosine kinases CCNK, CDK2, CDK1 KMT2A 3155/4885MEN1 2527/4885CYP19A1 376/4885

“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.