SCHEMBL5282971

SCHEMBL5282971

O=C(COCc1ccc(F)cc1)NCCC1CCN(C(=O)NC(CO)Cc2c[nH]c3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.47
ACHE P22303 6/20 0.47
RORC P51449 1/20 0.44
CHRM4 P08173 1/20 0.43
PAX8 Q06710 1/20 0.42
ECE1 P42892 2/20 0.41
BRS3 P32247 1/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41

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
SCHEMBL5282975 1.00 BCHE (0.47) BCHEACHERORCCHRM4PAX8
SCHEMBL5280165 0.90 BCHE (0.49) BCHEACHECHRM4BRS3
SCHEMBL5280288 0.89 KMT2A (0.51) BCHEACHE
SCHEMBL5280283 0.89 KMT2A (0.51) BCHEACHE
SCHEMBL5282166 0.86 ACHE (0.53) BCHEACHECHRM4
SCHEMBL5282667 0.85 BCHE (0.55) BCHEACHECHRM4
SCHEMBL5289480 0.85 BCHE (0.56) BCHEACHECHRM4
SCHEMBL5278655 0.83 BCHE (0.59) BCHEACHE
SCHEMBL5291489 0.82 BCHE (0.52) BCHEACHE
SCHEMBL5279913 0.80 BCHE (0.60) BCHEACHE

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-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP claimed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US claimed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO claimed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 BCHE 1641/4885ACHE 3161/4885RORC 2614/4885

“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.