SCHEMBL21840274

SCHEMBL21840274

O=C(O)c1cc(CCCCN2CCCc3cc(Cl)ccc32)on1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 8/20 0.80
▸ HDAC1 Q13547 5/20 0.80
▸ KDM4C Q9H3R0 2/20 0.49
▸ KDM4A O75164 1/20 0.49
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44
▸ HDAC11 Q96DB2 1/20 0.44
▸ HDAC9 Q9UKV0 1/20 0.44
▸ HDAC5 Q9UQL6 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL20524109 0.89 HDAC6 (1.00) HDAC6HDAC1KDM4CKDM4AHDAC8
SCHEMBL20524116 0.87 HDAC6 (0.73) HDAC6HDAC1KDM4CKDM4AHDAC8
SCHEMBL20524102 0.74 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL27750482 0.74 HDAC1 (0.56) HDAC6HDAC1KDM4CKDM4AHDAC8
SCHEMBL21840273 0.72 HDAC6 (0.71) HDAC6HDAC1KMT2AKDM4EMEN1
SCHEMBL18688206 0.71 HDAC1 (0.52) HDAC6HDAC1KDM4CKDM4AHDAC8
SCHEMBL1576678 0.71 HDAC1 (0.58) HDAC6HDAC1KDM4CKDM4AHDAC8
SCHEMBL18688725 0.70 HDAC6 (0.54) HDAC6HDAC1KDM4CKDM4AHDAC8
SCHEMBL18688691 0.69 HDAC6 (0.53) HDAC6HDAC1KDM4CKDM4AHDAC8
SCHEMBL18688204 0.69 HDAC6 (0.53) HDAC6HDAC1KDM4CKDM4AHDAC8

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-20200115350-A1 Isoxazole Hydroxamic Acids As Histone Deacetylase 6 Inhibitors THE GEORGE WASHINGTON UNIVERSITY, A CONGRESSIONALLY CHARTERED NOT-FOR-PROFIT CORPORATION 2020-04-16 — — US claimed

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-20200115350-A1 Isoxazole Hydroxamic Acids As Histone Deacetylase 6 Inhibitors HDAC1, HDAC7, HDAC5 HDAC6 10/4885HDAC1 1/4885KDM4C 175/4885

“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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