SCHEMBL20096629

SCHEMBL20096629

O=C(NO)c1cccc2c1CCC1(CCN(c3cccc(C(F)(F)F)c3)C1=O)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 16/20 1.00
CXCR5 P32302 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GPR52 Q9Y2T5 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 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
SCHEMBL20096501 0.93 HDAC11 (0.86) HDAC11CXCR5HDAC6
SCHEMBL20096682 0.93 HDAC11 (1.00) HDAC11CXCR5DRD2DRD3KCNH2
SCHEMBL20096630 0.91 HDAC11 (0.86) HDAC11
SCHEMBL20096890 0.83 HDAC11 (1.00) HDAC11
SCHEMBL20096499 0.83 HDAC11 (0.70) HDAC11CXCR5DRD2DRD3KCNH2
SCHEMBL20096493 0.83 HDAC11 (0.85) HDAC11
SCHEMBL20132866 0.82 HDAC11 (0.70) HDAC11CXCR5HDAC6GPR52
SCHEMBL20096500 0.81 HDAC11 (0.68) HDAC11
SCHEMBL20096680 0.80 HDAC11 (0.78) HDAC11
SCHEMBL20096618 0.80 HDAC11 (0.88) HDAC11CXCR5HDAC6DRD2

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 1/4885CXCR5 2882/4885HDAC6 6/4885
US-20180127386-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885CXCR5 2882/4885HDAC6 6/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885CXCR5 2882/4885HDAC6 6/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885CXCR5 2882/4885HDAC6 6/4885

“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.