SCHEMBL20132912

SCHEMBL20132912

O=C(NO)c1cccc2c1CC1(CC2)CCN(Cc2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 13/20 1.00
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.44
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PTGER4 P35408 1/20 0.42
HCRTR2 O43614 1/20 0.40
CXCR5 P32302 1/20 0.40

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
SCHEMBL20096618 0.94 HDAC11 (0.88) HDAC11HDAC6HDAC1DRD2HTR2A
SCHEMBL20096857 0.93 HDAC11 (0.86) HDAC11HDAC6HDAC1PTGER4HCRTR2
SCHEMBL29754239 0.91 HDAC11 (0.83) HDAC11HDAC6DRD2HTR2AHTR2C
SCHEMBL20096690 0.91 HDAC11 (0.83) HDAC11HDAC6DRD2HTR2AHTR2C
SCHEMBL20096696 0.89 HDAC11 (0.80) HDAC11HDAC6HDAC1PTGER4
SCHEMBL20096701 0.88 HDAC11 (0.79) HDAC11HDAC6DRD2HTR2AHTR2C
SCHEMBL20096692 0.88 HDAC11 (0.79) HDAC11HDAC6HDAC1
SCHEMBL24462865 0.88 HDAC11 (0.78) HDAC11HDAC6HDAC1SIGMAR1PTGER4
SCHEMBL20096709 0.87 HDAC11 (0.77) HDAC11HDAC6HDAC1PTGER4CXCR5
SCHEMBL20096890 0.84 HDAC11 (1.00) HDAC11HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 6/4885HDAC1 2/4885
US-20190084945-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885HDAC1 2/4885
US-20190084946-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885HDAC6 6/4885HDAC1 2/4885

“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.