SCHEMBL20096907

SCHEMBL20096907

O=C(NO)c1cccc2c1CC1(CCN(Cc3cc(Cl)ccc3Cl)C1=O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 12/20 1.00
HDAC6 Q9UBN7 4/20 0.64
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
P2RX7 Q99572 1/20 0.36
HDAC1 Q13547 2/20 0.36
RIPK1 Q13546 1/20 0.35
DRD4 P21917 1/20 0.34

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
SCHEMBL20096474 0.90 HDAC11 (0.82) HDAC11HDAC6DRD2DRD3KCNH2
SCHEMBL20096840 0.88 HDAC11 (0.83) HDAC11HDAC6HDAC1
SCHEMBL20096483 0.87 HDAC11 (0.79) HDAC11HDAC6HDAC1
SCHEMBL20096906 0.87 HDAC11 (0.80) HDAC11HDAC6P2RX7RIPK1
SCHEMBL20096737 0.86 HDAC11 (0.78) HDAC11HDAC6DRD3KCNH2HDAC1
SCHEMBL20096913 0.85 HDAC11 (1.00) HDAC11HDAC6HDAC1
SCHEMBL20096922 0.83 HDAC11 (0.83) HDAC11HDAC6HDAC1RIPK1
SCHEMBL20096849 0.82 HDAC11 (0.78) HDAC11HDAC6HDAC1RIPK1
SCHEMBL20096914 0.82 HDAC11 (0.75) HDAC11HDAC6HDAC1RIPK1
SCHEMBL20096552 0.81 HDAC11 (0.73) HDAC11HDAC6P2RX7

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 6 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
US-9246109-B2 Compound and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-26 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 (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 6/4885DRD2 4805/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885DRD2 4805/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885DRD2 4805/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885DRD2 4805/4885

“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.