SCHEMBL13396409

SCHEMBL13396409

CSCCC(N)C(=O)NCCOCCO[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSC P53634 1/20 0.39
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 1/20 0.36
MARS1 P56192 3/20 0.35
DPP7 Q9UHL4 2/20 0.35
TLR2 O60603 4/20 0.34
CA2 P00918 2/20 0.34
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
NOS1 P29475 1/20 0.33
RRM1 P23921 1/20 0.33

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
SCHEMBL13396404 0.86 DPP7 (0.44) CTSCFNTAFNTBPGGT1BDPP7
SCHEMBL13396405 0.85 FNTA (0.45) CTSCFNTAFNTBPGGT1BDPP7
SCHEMBL13396359 0.81 CA2 (0.43) MEN1KMT2ATLR2CA2NOS1
SCHEMBL13396402 0.81 GNAI3 (0.49) MEN1KMT2ADPP7TLR2CA2
SCHEMBL13396469 0.80 MEN1 (0.41) MEN1KMT2AFNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8582226 0.80 MEN1 (0.37) MEN1KMT2AFNTAFNTBPGGT1B
SCHEMBL13416086 0.80 CTSC (0.43) MEN1KMT2ACTSCFNTAFNTB
SCHEMBL13396485 0.79 MEN1 (0.41) MEN1KMT2ATLR2CA2NOS1
SCHEMBL13396385 0.78 NOS1 (0.41) MEN1KMT2ADPP7TLR2CA2
SCHEMBL13396522 0.76 MEN1 (0.51) MEN1KMT2ACA2

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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 MEN1 615/4885KMT2A 4459/4885CTSC 3666/4885

“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.