SCHEMBL20096474

SCHEMBL20096474

O=C(NO)c1cccc2c1CC1(CCN(Cc3ccccc3Cl)C1=O)C2

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 12/20 0.82
HDAC6 Q9UBN7 2/20 0.50
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RIPK1 Q13546 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL20096906 0.93 HDAC11 (0.80) HDAC11HDAC6RIPK1
SCHEMBL20096913 0.90 HDAC11 (1.00) HDAC11HDAC6ALDH1A1
SCHEMBL20096907 0.90 HDAC11 (1.00) HDAC11HDAC6RIPK1DRD2DRD3
SCHEMBL20096914 0.88 HDAC11 (0.75) HDAC11HDAC6RIPK1
SCHEMBL20096922 0.88 HDAC11 (0.83) HDAC11HDAC6RIPK1
SCHEMBL20096739 0.87 HDAC11 (0.73) HDAC11HDAC6RIPK1
SCHEMBL20096840 0.86 HDAC11 (0.83) HDAC11HDAC6
SCHEMBL20096482 0.86 HDAC11 (1.00) HDAC11HDAC6RIPK1
SCHEMBL20096742 0.86 HDAC11 (0.79) HDAC11HDAC6ALDH1A1
SCHEMBL20096737 0.85 HDAC11 (0.78) HDAC11HDAC6DRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345672-B2 Methods using HDAC11 inhibitors VALO HEALTH, INC. (US) 2022-05-31 US disclosed
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS Valo Health, LLC 2019-03-21 US disclosed
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS VALO HEALTH, INC. 2019-03-21 US disclosed
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS VALO EARLY DISCOVERY, INC. 2018-05-10 US disclosed
WO-2018075959-A1 METHODS USING HDAC11 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2018-04-26 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 (4 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-11345672-B2 Methods using HDAC11 inhibitors HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885TP53 699/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885TP53 699/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885TP53 699/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885TP53 699/4885

“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.