SCHEMBL28617709

SCHEMBL28617709

C=CCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 3/20 0.56
CYP19A1 P11511 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
NPY5R Q15761 4/20 0.52
F13A1 P00488 1/20 0.47
TGM1 P22735 1/20 0.47
CA12 O43570 1/20 0.46
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46

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
SCHEMBL10240183 0.92 KMT2A (0.60) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL18327176 0.88 KMT2A (0.59) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL31284709 0.87 KMT2A (0.68) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL27006685 0.87 KMT2A (0.68) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL29571128 0.87 KMT2A (0.68) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL3540913 0.86 KMT2A (0.66) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL30649118 0.84 KMT2A (0.71) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL4389696 0.84 KMT2A (0.71) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL12720636 0.83 KMT2A (0.63) KMT2AMEN1ALDH1A1CYP19A1CA1
SCHEMBL357662 0.83 CYP19A1 (0.59) KMT2AMEN1ALDH1A1CYP19A1CA1

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-20220071971-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-03-10 US disclosed
CN-113227087-A Macrocyclic compounds and their use in the treatment of disease 诺华股份有限公司 2021-08-06 CN 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-20220071971-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, PKD1, PKD2 KMT2A 4344/4885MEN1 1226/4885ALDH1A1 1333/4885

“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.