SCHEMBL9921587

SCHEMBL9921587

O=[N+]([O-])C1CCNCC1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 1/20 0.34

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
SCHEMBL9921591 0.82 CCR5 (0.32)
SCHEMBL15758321 0.80 SLC6A1 (0.35) PNMTSLC6A1GABRA5GABRB2SLC6A12
SCHEMBL8795601 0.73
SCHEMBL3575976 0.73 KDM1A (0.35) PNMT
SCHEMBL28392434 0.73 MEN1 (0.33)
SCHEMBL30889537 0.72 SLC6A1 (0.30) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL30889509 0.72 SLC6A1 (0.30) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL30089047 0.70 KDM1A (0.44)
SCHEMBL27209614 0.70 KDM1A (0.44)
SCHEMBL9323765 0.68 GSR (0.36)

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-20120149678-A1 Organonitro Compounds for Use in Treating Non-Hodgkin's Lymphoma and Leukemia, and Methods Relating Thereto ORONSKY BRYAN T (US) 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-20120149678-A1 Organonitro Compounds for Use in Treating Non-Hodgkin's Lymphoma and Leukemia, and Methods Relating Thereto NPM1, MCL1, BCL9 PNMT 301/4885SLC6A1 1931/4885GABRA5 4565/4885

“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.