SCHEMBL23055007

SCHEMBL23055007

O=C(CCCCC(=O)Nc1ccccc1)NO

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.96
HDAC6 Q9UBN7 16/20 0.96
HDAC11 Q96DB2 15/20 0.96
HDAC8 Q9BY41 15/20 0.96
HDAC4 P56524 14/20 0.96
HDAC7 Q8WUI4 14/20 0.96
HDAC9 Q9UKV0 14/20 0.96
HDAC5 Q9UQL6 14/20 0.96
HDAC3 O15379 14/20 0.96
HDAC2 Q92769 14/20 0.96
HDAC10 Q969S8 14/20 0.96
NCOR2 Q9Y618 2/20 0.96
KDM4E B2RXH2 1/20 0.96
BRD4 O60885 1/20 0.96
NCOR1 O75376 1/20 0.96
NR1I2 O75469 1/20 0.96
EGFR P00533 1/20 0.96
CYP3A4 P08684 1/20 0.96
LTA4H P09960 1/20 0.96
NR0B1 P51843 1/20 0.96

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
SCHEMBL8261596 0.98 HDAC1 (1.00) HDAC1HDAC6HDAC11HDAC8HDAC4
SCHEMBL19754407 0.98 HDAC1 (1.00) HDAC1HDAC6HDAC11HDAC8HDAC4
Vorinostat SCHEMBL9018 0.98 HDAC1 (1.00) HDAC1HDAC6HDAC11HDAC8HDAC4
SCHEMBL23055010 0.98 HDAC1 (1.00) HDAC1HDAC6HDAC11HDAC8HDAC4
SCHEMBL12659217 0.96 HDAC1 (0.89) HDAC1HDAC6HDAC11HDAC8HDAC4
Vorinostat SCHEMBL28095919 0.93 HDAC1 (0.90) HDAC1HDAC6HDAC11HDAC8HDAC4
SCHEMBL517309 0.92 HDAC4 (0.81) HDAC1HDAC6HDAC11HDAC8HDAC4
SCHEMBL30535798 0.92 HDAC6 (0.87) HDAC1HDAC6HDAC11HDAC8HDAC4
SCHEMBL137348 0.90 HDAC4 (0.85) HDAC1HDAC6HDAC11HDAC8HDAC4
SCHEMBL1065393 0.90 HDAC4 (0.85) HDAC1HDAC6HDAC11HDAC8HDAC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230105887-A1 NOVEL PHARMACEUTICAL COMPOSITION NOVARTIS AG (CH) 2023-04-06 US disclosed
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 (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-20230105887-A1 NOVEL PHARMACEUTICAL COMPOSITION DCPS, SRMS, CYP2D6 HDAC1 2439/4885HDAC6 229/4885HDAC11 1585/4885
US-20210060014-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC1 2/4885HDAC6 10/4885HDAC11 6/4885

“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.