SCHEMBL20096482

SCHEMBL20096482

O=C(NO)c1cccc2c1CC1(CCN(Cc3ccccc3C(F)(F)F)C1=O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 12/20 1.00
HDAC6 Q9UBN7 3/20 0.49
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
RIPK1 Q13546 1/20 0.39
PARP1 P09874 1/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL20096912 0.93 HDAC11 (0.86) HDAC11HDAC6LMNAGAARIPK1
SCHEMBL20096850 0.86 HDAC11 (1.00) HDAC11HDAC6HDAC3HDAC1HDAC2
SCHEMBL20096914 0.86 HDAC11 (0.75) HDAC11HDAC6HCRTR2HDAC3HDAC1
SCHEMBL20096474 0.86 HDAC11 (0.82) HDAC11HDAC6RIPK1
SCHEMBL20096857 0.84 HDAC11 (0.86) HDAC11HDAC6HCRTR2HDAC1
SCHEMBL20096739 0.84 HDAC11 (0.73) HDAC11HDAC6HDAC3HDAC1HDAC2
SCHEMBL20096676 0.84 HDAC11 (0.74) HDAC11HDAC6HDAC1
SCHEMBL20096922 0.83 HDAC11 (0.83) HDAC11HDAC6HDAC1RIPK1
SCHEMBL20096742 0.83 HDAC11 (0.79) HDAC11HDAC6HDAC3HDAC1HDAC2
SCHEMBL20826940 0.83 HDAC11 (0.73) HDAC11HDAC6

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 6/4885HCRTR1 2819/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885HCRTR1 2819/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885HCRTR1 2819/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885HCRTR1 2819/4885

“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.