SCHEMBL4030700

SCHEMBL4030700

CCOC(=NC)N[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C19 P33261 2/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL28704410 0.79
SCHEMBL4196098 0.72
SCHEMBL4031965 0.71
Ammonia Solution, Strong SCHEMBL8667532 0.71 GAA (0.41) LMNAMGAMGAASIMGAM2
SCHEMBL10698265 0.71
SCHEMBL4030697 0.68 MGAM (0.33) LMNAMGAMGAASIMGAM2
SCHEMBL4030693 0.68 MGAM (0.33) LMNAMGAMGAASIMGAM2
SCHEMBL11791555 0.64 MGAM (0.32) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL3752510 0.63
SCHEMBL3752512 0.63

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560593-B2 Process for producing nitroisourea derivatives MITSUI CHEMICALS, INC. (JP) 2009-07-14 US disclosed
US-20090018363-A1 PROCESS FOR PRODUCING NITROISOUREA DERIVATIVES MITSUI CHEMICALS, INC (JP) 2009-01-15 US disclosed
EP-1985610-A1 IMPROVED METHOD FOR PRODUCING NITROISOUREA DERIVATIVE Mitsui Chemicals, Inc. (JP) 2008-10-29 EP 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-20090018363-A1 PROCESS FOR PRODUCING NITROISOUREA DERIVATIVES NOS2, NOS1, NIT2 LMNA 4340/4885MGAM 134/4885GAA 212/4885

“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.