SCHEMBL4513082

SCHEMBL4513082

CC(C)(C)c1cc(N(C(=O)O)c2ccc([N+](=O)[O-])cc2)n(-c2ccc(F)cc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PTGS1 P23219 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
MAPK14 Q16539 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
BRAF P15056 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4513085 1.00 MEN1 (0.38) MEN1KMT2APTGS1CNR1CNR2
SCHEMBL4520800 0.85 MAPK14 (0.46) PTGS1MAPK14DDR2
SCHEMBL4520797 0.85 MAPK14 (0.46) PTGS1MAPK14DDR2
SCHEMBL4497925 0.82 MAPK14 (0.48) MAPK14DDR2
SCHEMBL4504911 0.81 MAPK14 (0.45) KMT2APTGS1MAPK14MAPTALDH1A1
SCHEMBL4521030 0.78 MAPK14 (0.49) MAPK14DDR2
SCHEMBL4521041 0.78 MAPK14 (0.49) MAPK14DDR2
SCHEMBL4521385 0.76 MAPK14 (0.48) MEN1KMT2AMAPK14MAPTDDR2
SCHEMBL4521378 0.76 MAPK14 (0.48) MEN1KMT2AMAPK14MAPTDDR2
SCHEMBL13678586 0.74 BRAF (0.49) MEN1KMT2APTGS1MAPK14MAPT

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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PFIZER INC. 2009-10-29 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-20090270350-A1 Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives PDXK, UMPS, CDK2 MEN1 4558/4885KMT2A 2604/4885PTGS1 13/4885

“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.