SCHEMBL29754239

SCHEMBL29754239

O=C(O)c1cccc2c1CC1(CC2)CCN(Cc2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 12/20 0.83
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
FABP4 P15090 2/20 0.46
PTGER4 P35408 1/20 0.44
HCRTR2 O43614 1/20 0.42
HDAC6 Q9UBN7 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL20096690 1.00 HDAC11 (0.83) HDAC11DRD2HTR2AHTR2CHTR2B
SCHEMBL20132912 0.91 HDAC11 (1.00) HDAC11DRD2HTR2AHTR2CHTR2B
SCHEMBL20096701 0.90 HDAC11 (0.79) HDAC11DRD2HTR2AHTR2CHTR2B
SCHEMBL20096618 0.84 HDAC11 (0.88) HDAC11DRD2HTR2AHTR2CHTR2B
SCHEMBL20096857 0.83 HDAC11 (0.86) HDAC11PTGER4HCRTR2HDAC6
SCHEMBL20096845 0.81 HDAC11 (0.66) HDAC11PTGER4HDAC6
SCHEMBL20096692 0.79 HDAC11 (0.79) HDAC11HDAC6
SCHEMBL20096696 0.78 HDAC11 (0.80) HDAC11PTGER4HDAC6
SCHEMBL20132806 0.78 HDAC11 (0.62) HDAC11HDAC6
SCHEMBL20096709 0.78 HDAC11 (0.77) HDAC11PTGER4HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220235018-A1 METHODS USING HDAC11 INHIBITORS Valo Health, LLC 2022-07-28 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 (1 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-20220235018-A1 METHODS USING HDAC11 INHIBITORS HDAC11, HDAC1, HDAC10 HDAC11 1/4885DRD2 4805/4885HTR2A 4424/4885

“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.