SCHEMBL5943980

SCHEMBL5943980

O=C(NO)c1ccc(-c2cccc(CNCc3ccc4c(c3)OCO4)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HDAC1 Q13547 6/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC3 O15379 2/20 0.56
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
MMP13 P45452 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
CHRM3 P20309 4/20 0.53
HDAC8 Q9BY41 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51

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
SCHEMBL5943722 0.81 HDAC8 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC8
SCHEMBL5943881 0.81 HDAC6 (0.61) HSP90AA1HDAC1HDAC2HDAC6HDAC3
SCHEMBL6781831 0.80 HSP90AA1 (0.82) HSP90AA1HDAC1HDAC2HDAC6HDAC3
SCHEMBL5943985 0.80 CHRM3 (0.47) HDAC1HDAC2HDAC6HDAC3CHRM3
SCHEMBL5039677 0.79 NPC1 (0.68) HSP90AA1MEN1LMNAMAPK1MMP13
SCHEMBL5944108 0.79 HDAC1 (0.77) HDAC1HDAC2HDAC6HDAC3KMT2A
SCHEMBL5943831 0.77 HDAC1 (0.59) HDAC1HDAC2HDAC6HDAC3MAPK1
SCHEMBL5442301 0.77 LMNA (0.67) HSP90AA1HDAC1HDAC2HDAC6HDAC3
SCHEMBL5943879 0.77 MAPT (0.70) MEN1LMNAKMT2ACHRM3ALDH1A1
SCHEMBL18910399 0.77 HDAC1 (0.48) AURKAHSP90AA1HDAC1HDAC2HDAC6

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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 AURKA 1496/4885HSP90AA1 237/4885HDAC1 1/4885

“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.