SCHEMBL23054813

SCHEMBL23054813

O=C(NO)C1C#CC1c1ccc(CNCCc2c[nH]c3ccc(OCCCc4ccccc4)cc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.57
MTNR1B P49286 4/20 0.57
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
HTR2A P28223 9/20 0.51
POLB P06746 1/20 0.47
LTA4H P09960 3/20 0.46
PLA2G2A P14555 3/20 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
SCHEMBL23054949 0.96 HDAC3 (0.56) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL23055036 0.89 HDAC3 (0.49) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL23055083 0.85 HDAC3 (0.52) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL23054855 0.85 HTR2A (0.58) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL23054782 0.83 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23054797 0.82 HDAC3 (0.47) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL8242116 0.80 HDAC1 (0.84) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL23055040 0.80 HDAC3 (0.54) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL23054885 0.77 HTR2A (0.46) MTNR1AMTNR1BHDAC3HDAC4HDAC1
SCHEMBL8241707 0.76 HDAC1 (0.86) MTNR1AMTNR1BHDAC3HDAC4HDAC1

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 MTNR1A 4070/4885MTNR1B 4310/4885HDAC3 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.