SCHEMBL18384702

SCHEMBL18384702

COC(=O)c1cc2c(OC)c([N+](=O)[O-])c([N+](=O)[O-])c(OC)c2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
COMT P21964 2/20 0.43
ALDH1A1 P00352 3/20 0.40
PKM P14618 2/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CSNK2A2 P19784 1/20 0.39
KDR P35968 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.37
TDP2 O95551 1/20 0.36
CASP3 P42574 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL30627023 1.00 SMN1; SMN2 (0.48) SMN1; SMN2COMTALDH1A1PKMTSHR
SCHEMBL18384524 0.80 MAPT (0.41) SMN1; SMN2ALDH1A1MAPTKDM4EHPGD
SCHEMBL18384499 0.80 KDM4E (0.41) SMN1; SMN2ALDH1A1MAPTKDM4EHPGD
SCHEMBL18384698 0.77 KDM4E (0.43) SMN1; SMN2ALDH1A1PKMTDP1CSNK2A2
SCHEMBL30626980 0.77 KDM4E (0.43) SMN1; SMN2ALDH1A1PKMTDP1CSNK2A2
SCHEMBL18384536 0.74 KDM4E (0.48) SMN1; SMN2ALDH1A1PKMCSNK2A2KDR
SCHEMBL18384704 0.73 KDR (0.43) SMN1; SMN2ALDH1A1PKMTDP1CSNK2A2
SCHEMBL30626981 0.73 KDR (0.43) SMN1; SMN2ALDH1A1PKMTDP1CSNK2A2
SCHEMBL30626987 0.73 CSNK2A2 (0.43) SMN1; SMN2ALDH1A1PKMTSHRTDP1
SCHEMBL9432296 0.72 CSNK2A2 (0.41) SMN1; SMN2ALDH1A1PKMTSHRCSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947879-A BBI608 derivative, preparation method thereof and application thereof in preparing medicines for treating STAT3 mediated diseases 沈阳药科大学 2023-10-27 CN disclosed
EP-3127907-A1 NEW TRICYCLIC QUINONE DERIVATIVE Boston Biomedical, Inc. (US) 2017-02-08 EP disclosed
EP-3127907-A1 NEW TRICYCLIC QUINONE DERIVATIVE Boston Biomedical, Inc. (US) 2017-02-08 EP disclosed
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 US disclosed
US-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE BOSTON BIOMEDICAL, INC. (US) 2017-01-19 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-20170015677-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 SMN1; SMN2 3746/4885COMT 534/4885ALDH1A1 143/4885

“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.