SCHEMBL23054885

SCHEMBL23054885

O=C(NO)C1C#CC1c1ccc(CNCCc2c[nH]c3cccc(OCc4ccccc4)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNH2 Q12809 1/20 0.40

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
SCHEMBL13949842 0.79 HDAC1 (0.69) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL23054949 0.78 HDAC3 (0.56) HTR2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL23054813 0.77 MTNR1A (0.57) HTR2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL23054855 0.76 HTR2A (0.58) HTR2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL23054782 0.76 HDAC3 (0.51) HTR2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL23055040 0.73 HDAC3 (0.54) HTR2AHDAC1HDAC3HDAC4HDAC7
SCHEMBL23805256 0.73 HTR2A (0.59) HTR2AKMT2AMAPTMITFLMNA
SCHEMBL23805254 0.72 KMT2A (0.68) HTR2AKMT2AMAPTMITFLMNA
SCHEMBL23805235 0.72 HTR2A (0.60) HTR2AKMT2AMAPTMITFLMNA
SCHEMBL23054934 0.72 KCNT1 (0.52) 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 HTR2A 3610/4885HDAC1 2/4885HDAC3 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.