SCHEMBL5778212

SCHEMBL5778212

COC(=O)ONC(=N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CES1 P23141 2/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NQO2 P16083 1/20 0.44
CES2 O00748 1/20 0.44
SRD5A2 P31213 1/20 0.44

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
SCHEMBL5313733 0.86 MAPK1 (0.56) MAPK1TSHRPOLBMEN1KMT2A
SCHEMBL5308303 0.85 MAPK1 (0.47) MAPK1TSHRPOLBMEN1KMT2A
SCHEMBL7061365 0.84 MAPK1 (0.53) MAPK1TSHRPOLBMEN1KMT2A
Potassium Ion SCHEMBL3225175 0.83 CA1 (0.53) MAPK1TSHRPOLBMEN1KMT2A
SCHEMBL5314843 0.82 MAPT (0.52) MAPK1TSHRPOLBKMT2ACES1
SCHEMBL2151529 0.76 MAPK1 (0.55) MAPK1TSHRPOLBMEN1KMT2A
SCHEMBL8348890 0.76 TSHR (0.55) MAPK1TSHRPOLBMEN1KMT2A
SCHEMBL28517308 0.76 MAPK1 (0.55) MAPK1TSHRPOLBMEN1KMT2A
SCHEMBL19309854 0.76 MAPK1 (0.55) MAPK1TSHRPOLBMEN1KMT2A
SCHEMBL17469781 0.76 MAPK1 (0.50) MAPK1TSHRPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT MAPK1 331/4885TSHR 1807/4885POLB 4636/4885

“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.