SCHEMBL5330193

SCHEMBL5330193

O=[N+]([O-])c1cc(Oc2ccccn2)cc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
HSP90AB1 P08238 1/20 0.57
PDE10A Q9Y233 1/20 0.52
MAPT P10636 7/20 0.51
ALDH1A1 P00352 6/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PIN1 Q13526 2/20 0.50
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
KDM4E B2RXH2 6/20 0.47
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
HTT P42858 4/20 0.45
GAA P10253 3/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 4/20 0.44
RELA Q04206 2/20 0.44
PKM P14618 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
SCHEMBL1378967 0.81 HSP90AA1 (0.62) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL10845927 0.79 TLR4 (0.54) MAPTALDH1A1PIN1TLR4TLR2
SCHEMBL6638804 0.78 HSP90AA1 (0.59) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL11730102 0.78 TLR4 (0.51) MAPTALDH1A1PIN1TLR4TLR2
SCHEMBL5322748 0.78 HSP90AA1 (0.59) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL11973817 0.77 HSP90AA1 (0.58) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL18257216 0.76 HSP90AA1 (0.57) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL18249540 0.76 HSP90AA1 (0.57) HSP90AA1HSP90AB1PDE10AMAPTALDH1A1
SCHEMBL28972085 0.76 PIN1 (0.55) MAPTALDH1A1PIN1TLR4TLR2
SCHEMBL26686690 0.76 TLR4 (0.51) HSP90AA1MAPTALDH1A1L3MBTL1PIN1

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
WO-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed
WO-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 HSP90AA1 2256/4885HSP90AB1 1565/4885PDE10A 3484/4885

“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.