SCHEMBL7365575

SCHEMBL7365575

O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)C1=NCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 1.00
▸ HDAC2 Q92769 15/20 1.00
▸ HDAC6 Q9UBN7 15/20 1.00
▸ HDAC3 O15379 14/20 1.00
▸ HDAC4 P56524 14/20 1.00
▸ HDAC7 Q8WUI4 14/20 1.00
▸ HDAC10 Q969S8 14/20 1.00
▸ HDAC11 Q96DB2 14/20 1.00
▸ HDAC8 Q9BY41 14/20 1.00
▸ HDAC9 Q9UKV0 14/20 1.00
▸ HDAC5 Q9UQL6 14/20 1.00
▸ HRH3 Q9Y5N1 3/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ HRH4 Q9H3N8 2/20 0.46
▸ HRH1 P35367 1/20 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
SCHEMBL7363616 0.76 HDAC3 (0.61) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL9003784 0.76 HDAC3 (0.60) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL3381443 0.75 HDAC3 (0.77) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL1007408 0.75 HDAC3 (0.77) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7515225 0.75 HDAC3 (0.77) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7400685 0.74 HDAC1 (0.58) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7368556 0.73 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7739114 0.73 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7394977 0.73 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL7738398 0.73 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 — — US claimed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 — — US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 — — US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 — — WO 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 HDAC1 1/4885HDAC2 7/4885HDAC6 11/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC2 4/4885HDAC6 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.

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