SCHEMBL415237

SCHEMBL415237

COc1ccc2ccc(OC)c([N+](=O)[O-])c2c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.43
NQO2 P16083 4/20 0.42
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
LMNA P02545 2/20 0.41
PKM P14618 1/20 0.41
CYP19A1 P11511 1/20 0.41
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
NCEH1 Q6PIU2 1/20 0.40

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
SCHEMBL1179747 0.84 TDP1 (0.62) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL29396391 0.84 TDP1 (0.62) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL15814169 0.82 TDP1 (0.42) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL28215127 0.78 TDP1 (0.56) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL9747035 0.78 TDP1 (0.56) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL29625716 0.77 NCEH1 (0.64) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL4594864 0.77 NCEH1 (0.64) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL17372898 0.76 SMN1; SMN2 (0.50) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL1961457 0.76 TDP1 (0.63) TDP1L3MBTL1KDM4EPOLBCTDSP1
SCHEMBL11798976 0.75 ALDH1A1 (0.57) TDP1L3MBTL1KDM4EPOLBCTDSP1

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-20120021897-A1 RING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-26 US disclosed
EP-2399918-A1 RING COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-12-28 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-20120021897-A1 RING COMPOUND NR4A2, NR4A1, NR0B1 TDP1 4499/4885L3MBTL1 4352/4885KDM4E 2123/4885

“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.