SCHEMBL4030697

SCHEMBL4030697

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
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 3/20 0.31
MAPT P10636 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2C19 P33261 2/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 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
SCHEMBL4030693 1.00 MGAM (0.33) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2197713 0.79
SCHEMBL2197710 0.79
SCHEMBL4031968 0.71
SCHEMBL20156412 0.69
SCHEMBL4198457 0.68 ALDH1A1 (0.31) ALDH1A1LMNAHSD17B10
SCHEMBL4198456 0.68 ALDH1A1 (0.31) ALDH1A1LMNAHSD17B10
SCHEMBL4030700 0.68 LMNA (0.35) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22995132 0.67
SCHEMBL3226475 0.66

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 MGAM 134/4885GAA 212/4885SI 94/4885

“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.