SCHEMBL20132889

SCHEMBL20132889

O=C(NO)c1cccc2c1CC1(CCN(Cc3ccccc3OC(F)C(F)F)C1=O)C2

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 12/20 0.76
HDAC6 Q9UBN7 3/20 0.49
RIPK1 Q13546 2/20 0.36
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HDAC1 Q13547 1/20 0.32

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
SCHEMBL20096742 0.87 HDAC11 (0.79) HDAC11HDAC6MAPK1ALDH1A1HDAC1
SCHEMBL20096850 0.86 HDAC11 (1.00) HDAC11HDAC6HDAC1
SCHEMBL20096474 0.82 HDAC11 (0.82) HDAC11HDAC6RIPK1ALDH1A1
SCHEMBL20096914 0.82 HDAC11 (0.75) HDAC11HDAC6RIPK1HDAC1
SCHEMBL20096482 0.81 HDAC11 (1.00) HDAC11HDAC6RIPK1HDAC1
SCHEMBL20096739 0.81 HDAC11 (0.73) HDAC11HDAC6RIPK1HDAC1
SCHEMBL20096849 0.81 HDAC11 (0.78) HDAC11HDAC6RIPK1HDAC1
SCHEMBL20096922 0.80 HDAC11 (0.83) HDAC11HDAC6RIPK1HDAC1
SCHEMBL20096906 0.79 HDAC11 (0.80) HDAC11HDAC6RIPK1
SCHEMBL20096858 0.79 HDAC11 (1.00) HDAC11HDAC6HDAC1

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-20180127386-A1 METHODS USING HDAC11 INHIBITORS VALO EARLY DISCOVERY, INC. 2018-05-10 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-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885RIPK1 1900/4885

“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.