SCHEMBL22855795

SCHEMBL22855795

O=C(NO)c1ccc(CN2c3ccccc3Sc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 1.00
HDAC1 Q13547 12/20 1.00
HDAC8 Q9BY41 9/20 1.00
HDAC3 O15379 9/20 1.00
HDAC4 P56524 8/20 1.00
HDAC7 Q8WUI4 8/20 1.00
HDAC2 Q92769 8/20 1.00
HDAC10 Q969S8 8/20 1.00
HDAC11 Q96DB2 8/20 1.00
HDAC9 Q9UKV0 8/20 1.00
HDAC5 Q9UQL6 8/20 1.00

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
SCHEMBL22855796 0.87 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL1370561 0.85 HDAC6 (0.74) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL28440243 0.84 HDAC6 (0.72) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL30285347 0.83 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL21449136 0.82 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL1365734 0.81 HDAC6 (0.70) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL1367216 0.81 HDAC1 (0.70) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL12892562 0.81 HDAC6 (0.66) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL1368416 0.80 HDAC6 (0.70) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL3692906 0.76 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC3HDAC4

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-20220401474-A1 HDAC6-ACTIVATED MACROPHAGES, COMPOSITIONS, AND USES THEREOF MEDSTAR HEALTH 2022-12-22 US disclosed
WO-2022094319-A1 STAT-ACTIVATED MACROPHAGES, COMPOSITIONS, AND USES THEREOF THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION (US) 2022-05-05 WO disclosed
WO-2020264437-A1 HDAC6-ACTIVATED MACROPHAGES, COMPOSITIONS, AND USES THEREOF THE GEORGE WASHINGTON UNIVERSITY (US) 2020-12-30 WO disclosed
CN-109020921-B Histone deacetylase HDAC6 inhibitor and preparation method and application thereof 山东大学 2020-08-04 CN 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-20220401474-A1 HDAC6-ACTIVATED MACROPHAGES, COMPOSITIONS, AND USES THEREOF HDAC6, HDAC1, HDAC3 HDAC6 1/4885HDAC1 2/4885HDAC8 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.