SCHEMBL20798562

SCHEMBL20798562

Cn1c2ccccc2n2cc(-c3ccc(NO)cc3)nc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBD2 Q9UBB5 1/20 0.60
ADORA2A P29274 8/20 0.41
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADORA1 P30542 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
APP P05067 1/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
FLT3 P36888 1/20 0.34
HTT P42858 2/20 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
SCHEMBL9268169 0.82 MBD2 (0.66) MBD2ADORA2AALDH1A1LMNAKDM4E
SCHEMBL13394327 0.81 MBD2 (0.64) MBD2ADORA2AALDH1A1LMNAKDM4E
SCHEMBL13408418 0.78 MBD2 (0.76) MBD2ADORA2AALDH1A1LMNAKDM4E
SCHEMBL13390176 0.75 MBD2 (1.00) MBD2ADORA2AALDH1A1LMNAGAA
SCHEMBL8202303 0.72 MBD2 (0.54) MBD2ALDH1A1LMNAHPGD
SCHEMBL9258018 0.70 MBD2 (0.51) MBD2ADORA2AALDH1A1LMNAKDM4E
SCHEMBL9257171 0.69 MBD2 (0.50) MBD2ADORA2AALDH1A1LMNAKDM4E
SCHEMBL21412940 0.69 MBD2 (0.50) MBD2ADORA2AALDH1A1LMNAKDM4E
SCHEMBL9262702 0.69 MBD2 (0.50) MBD2ALDH1A1LMNAKDM4EHPGD
SCHEMBL8878415 0.68 MBD2 (0.48) MBD2ADORA2AALDH1A1LMNAKDM4E

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-10227654-B2 Agents for reversing epigenetic silencing of genes THE JOHNS HOPKINS UNIVERSITY (US) 2019-03-12 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-10227654-B2 Agents for reversing epigenetic silencing of genes MECP2, MBD2, GATAD2B MBD2 2/4885ADORA2A 3196/4885ALDH1A1 2323/4885

“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.