SCHEMBL12467499

SCHEMBL12467499

CC1(C)CC(=O)Nc2cc(C(=O)CBr)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.56
RARG P13631 1/20 0.56
HDAC6 Q9UBN7 7/20 0.42
HDAC3 O15379 6/20 0.42
HDAC4 P56524 6/20 0.42
HDAC1 Q13547 6/20 0.42
HDAC2 Q92769 6/20 0.42
HDAC8 Q9BY41 6/20 0.42
HDAC9 Q9UKV0 6/20 0.42
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
GSK3B P49841 4/20 0.39
PTPN1 P18031 3/20 0.39
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
EPHX2 P34913 1/20 0.38
GNG2 P59768 1/20 0.37
GNB1 P62873 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
SCHEMBL12467513 0.89 HDAC6 (0.53) RARBRARGHDAC6HDAC3HDAC4
SCHEMBL9139650 0.82 RARB (0.73) RARBRARGHDAC6HDAC3HDAC4
SCHEMBL12466110 0.80 RARB (0.47) RARBRARGHDAC6HDAC3HDAC4
SCHEMBL23590705 0.79 RARB (0.57) RARBRARGHDAC6HDAC3HDAC4
SCHEMBL7307647 0.78 MAPK14 (0.52) ALDH1A1GSK3BPTPN1GNG2GNB1
Hydrochloric Acid SCHEMBL9202414 0.76 RARB (0.54) RARBRARGHDAC6HDAC3HDAC4
SCHEMBL11470235 0.76 HDAC6 (0.54) RARBRARGHDAC6HDAC3HDAC4
SCHEMBL3605158 0.75 CA9 (0.51) ALDH1A1MAPTPTPN1CRBNSMYD3
SCHEMBL6450714 0.75 HDAC3 (0.56) RARBRARGHDAC6HDAC3HDAC4
SCHEMBL6578651 0.74 CMA1 (0.59) RARBRARGHDAC6HDAC3HDAC4

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
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
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 RARB 1245/4885RARG 972/4885HDAC6 522/4885

“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.