SCHEMBL14458702

SCHEMBL14458702

C#CCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 2/20 0.39
NR1D1 P20393 1/20 0.38
THRB P10828 1/20 0.38
HSD11B1 P28845 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 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
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CKS1B P61024 1/20 0.37
SKP1 P63208 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
SCHEMBL16156942 0.87 MEN1 (0.41) MEN1KMT2APTPN1NR1D1THRB
SCHEMBL4371396 0.85 KMT2A (0.45) MEN1KMT2ATHRBCA1CA2
SCHEMBL16156921 0.83 THRB (0.39) MEN1KMT2APTPN1NR1D1THRB
SCHEMBL14476195 0.83 MEN1 (0.52) MEN1KMT2ATHRBCA1CA2
SCHEMBL25353748 0.83 CA1 (0.46) MEN1KMT2APTPN1CA1CA2
SCHEMBL14458721 0.80 PTPN1 (0.36) MEN1KMT2APTPN1NR1D1HSD11B1
SCHEMBL25228512 0.80 SLC10A6 (0.43) MEN1KMT2APTPN1THRBCA1
SCHEMBL30517731 0.80 CA1 (0.43) MEN1KMT2APTPN1CA1CA2
SCHEMBL24179552 0.79 CA1 (0.45) MEN1KMT2APTPN1NR1D1THRB
SCHEMBL14163378 0.78 NPY5R (0.52) MEN1KMT2ATHRBCA1CA2

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-20070155731-A1 Aminocyclopentyl pyridopyrazinone modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-07-05 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-20070155731-A1 Aminocyclopentyl pyridopyrazinone modulators of chemokine receptor activity CCR2, ACKR3, CCR7 MEN1 3332/4885KMT2A 4098/4885PTPN1 1249/4885

“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.