SCHEMBL974440

SCHEMBL974440

O=C(NO)c1c[nH]cc1-c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC8 Q9BY41 4/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC1 Q13547 1/20 0.48
GSTP1 P09211 1/20 0.46
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
MMP3 P08254 1/20 0.42
BACE1 P56817 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL973933 0.80 ALDH1A1 (0.61) MEN1MAPTKMT2AMAPK1SMN1; SMN2
SCHEMBL12922042 0.77 HDAC7 (0.41) MAPTHDAC8HDAC6HDAC1HDAC4
SCHEMBL976142 0.74 HDAC8 (0.60) MEN1MAPTKMT2ASMN1; SMN2HDAC8
SCHEMBL10361606 0.72 HDAC1 (0.59) HDAC8HDAC6HDAC1HDAC4HDAC2
SCHEMBL875658 0.68 SLC6A2 (0.68) MEN1MAPTKMT2AMAPK1SMN1; SMN2
SCHEMBL31305702 0.68 HDAC1 (0.71) HDAC8HDAC6HDAC1HDAC4HDAC2
SCHEMBL6010034 0.68 HDAC1 (0.71) HDAC8HDAC6HDAC1HDAC4HDAC2
SCHEMBL84188 0.67 SLC6A2 (0.66) MEN1KMT2ASMN1; SMN2SLC6A2SLC6A4
SCHEMBL29618929 0.67 SLC6A2 (0.66) MEN1KMT2ASMN1; SMN2SLC6A2SLC6A4
SCHEMBL30610922 0.67 SLC6A2 (0.66) MEN1KMT2ASMN1; SMN2SLC6A2SLC6A4

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
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US claimed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
WO-2008101186-A1 INHIBITORS FOR HDAC8 THE J. DAVID GLADSTONE INSTITUTES (US) 2008-08-21 WO 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 (2 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MEN1 3189/4885MAPT 2336/4885KMT2A 60/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 MEN1 3189/4885MAPT 2336/4885KMT2A 60/4885

“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.