SCHEMBL10085138

SCHEMBL10085138

CC(C)(C)C(=O)CN(CCCCN)C(=O)CN(CCCCN)C(=O)CN(CCCCN)C(=O)CN(CCCCN)C(=O)CN(CCCCN)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL10085154 0.88 ACHE (0.33)
SCHEMBL16016666 0.86 CHRM2 (0.34)
SCHEMBL13992424 0.84 CHRM2 (0.38)
SCHEMBL16016796 0.84 CHRM2 (0.38)
SCHEMBL16315919 0.84 CHRM2 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10085155 0.82 MC3R (0.38)
SCHEMBL12387504 0.81 MC4R (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13992419 0.81
SCHEMBL10085153 0.79 MC3R (0.38)
SCHEMBL13992418 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027677-A1 Prion-specific peptoid reagents NOVARTIS AG 2012-02-02 US disclosed
US-20110189692-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG 2011-08-04 US disclosed
US-7834144-B2 Prion-specific peptoid reagents NOVARTIS AG (CH) 2010-11-16 US disclosed
US-20070087972-A1 Prion-specific peptoid reagents NOVARTIS AG (CH) 2007-04-19 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 (2 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-20070087972-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP HDAC3 4857/4885HDAC4 4727/4885HDAC1 4880/4885
US-20120027677-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP HDAC3 4857/4885HDAC4 4727/4885HDAC1 4880/4885

“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.