SCHEMBL6038007

SCHEMBL6038007

CCCCCCNc1cccc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.52
HSP90AB1 P08238 9/20 0.52
HTT P42858 2/20 0.51
ALOX15 P16050 1/20 0.51
GLO1 Q04760 1/20 0.51
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NSD2 O96028 1/20 0.49
BLM P54132 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
HDAC6 Q9UBN7 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46

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
SCHEMBL11584047 1.00 HSP90AA1 (0.52) HSP90AA1HSP90AB1HTTALOX15GLO1
SCHEMBL27751330 0.98 HTT (0.53) HSP90AA1HSP90AB1HTTALOX15GLO1
SCHEMBL11149010 0.94 HTT (0.54) HSP90AA1HSP90AB1HTTALOX15GLO1
SCHEMBL15923243 0.92 HSP90AA1 (0.46) HSP90AA1HSP90AB1HTTALOX15GLO1
Quinoline SCHEMBL28154730 0.90 TLR8 (0.48) HSP90AA1HSP90AB1HTTALOX15GLO1
SCHEMBL9180960 0.87 HTT (0.57) HSP90AA1HSP90AB1HTTALOX15GLO1
SCHEMBL1507837 0.87 MEN1 (0.56) HSP90AA1HSP90AB1HTTALOX15GLO1
SCHEMBL522650 0.84 MEN1 (0.59) HSP90AA1HSP90AB1HTTALOX15GLO1
SCHEMBL26079033 0.83 HDAC6 (0.60) HSP90AA1HSP90AB1HTTALOX15GLO1
SCHEMBL6222568 0.80 KMT2A (0.56) HSP90AA1HTTALOX15GLO1MEN1

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-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
US-4113717-A Quaternized azo dyestuffs IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-09-12 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 HSP90AA1 2381/4885HSP90AB1 2055/4885HTT 846/4885

“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.