SCHEMBL23054839

SCHEMBL23054839

O=C(NO)C1C#CC1c1ccc(CNCCc2c[nH]c3ccccc23)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
KCNH2 Q12809 1/20 0.49
MC5R P33032 1/20 0.48
MC3R P41968 1/20 0.48
MC1R Q01726 1/20 0.48
KMT2A Q03164 5/20 0.47
CDK2 P24941 3/20 0.46
MEN1 O00255 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 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
SCHEMBL13949901 0.76 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23054816 0.75 HDAC3 (0.59) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23055089 0.75 HDAC3 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23054782 0.73 HDAC3 (0.51) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL32667932 0.71 MC5R (0.68) MC5RMC3RMC1RKMT2ACDK2
SCHEMBL20797914 0.71 MC5R (0.68) MC5RMC3RMC1RKMT2ACDK2
SCHEMBL23055040 0.71 HDAC3 (0.54) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23054949 0.70 HDAC3 (0.56) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23054950 0.70 SIRT1 (0.64) KMT2AMEN1
SCHEMBL13949920 0.68 HDAC1 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2

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-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB (SE) 2021-03-04 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-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC3 1/4885HDAC4 7/4885

“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.