SCHEMBL23054816

SCHEMBL23054816

O=C(NO)C1C#CC1c1ccc(CNCCc2c[nH]c3ccccc23)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
MC5R P33032 2/20 0.49
MC3R P41968 2/20 0.49
MC1R Q01726 2/20 0.49
MPO P05164 1/20 0.47
HDAC4 P56524 1/20 0.46
KCNH2 Q12809 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MMP9 P14780 1/20 0.44
KMT2A Q03164 3/20 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
SCHEMBL23054950 0.79 SIRT1 (0.64) NPC1RAB9AMMP9KMT2ASIRT1
SCHEMBL23745658 0.77 MC1R (0.70) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23054782 0.76 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL23722110 0.76 MC5R (0.68) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23054839 0.75 HDAC1 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23055093 0.75 HDAC1 (0.55) HDAC1NPC1RAB9AKMT2AMEN1
SCHEMBL13949908 0.74 HDAC1 (0.75) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23055040 0.74 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23745403 0.73 MC1R (0.67) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23055026 0.73 HDAC1 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6

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 HDAC3 1/4885HDAC1 2/4885HDAC2 3/4885

“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.