SCHEMBL12465787

SCHEMBL12465787

CCC(=O)C(CC(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2C)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
RARA P10276 6/20 0.38
RARB P10826 6/20 0.38
RARG P13631 3/20 0.38
RXRA P19793 5/20 0.33
TSHR P16473 2/20 0.31
GAA P10253 1/20 0.31
CBX7 O95931 1/20 0.31
CDYL2 Q8N8U2 1/20 0.31
CDYL Q9Y232 1/20 0.31
CDY1; CDY1B Q9Y6F8 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL12467612 0.81 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL12465744 0.79 RARB (0.41) HDAC1HDAC6RARARARBRARG
SCHEMBL15388932 0.78 HDAC6 (0.45) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6746180 0.78 HDAC1 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6770006 0.78 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL11323280 0.76 HDAC1 (0.55) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL12466110 0.76 RARB (0.47) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL11318229 0.76 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL9593493 0.75 HDAC1 (0.56) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL12465677 0.73 MCHR1 (0.32)

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
EP-2670744-B1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LTD (IN) 2015-05-27 EP disclosed
EP-2670744-B1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LTD (IN) 2015-05-27 EP disclosed
EP-2670744-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR Lupin Limited (IN) 2013-12-11 EP disclosed
US-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2013-11-21 US disclosed
US-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2013-11-21 US disclosed
WO-2012104782-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR LUPIN LIMITED (IN) 2012-08-09 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 (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-20130310419-A1 PYRROLE DERIVATIVES USED AS MODULATORS OF ALPHA7 NACHR CHRNA7, CHRNE, CHRNA5 HDAC1 1574/4885HDAC6 522/4885HDAC3 914/4885

“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.