SCHEMBL5281167

SCHEMBL5281167

COc1ccc(NC(=O)N2CCC(CCCNC(=O)COCc3ccc(F)cc3)CC2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 2/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
CCR3 P51677 1/20 0.43
NAMPT P43490 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5292648 0.95 L3MBTL1 (0.49) L3MBTL1PKMSMN1; SMN2KMT2ANPSR1
SCHEMBL5278528 0.81 TP53 (0.40) L3MBTL1PKMSMN1; SMN2KMT2ANPSR1
SCHEMBL5291871 0.80 FAAH (0.51) SMN1; SMN2KMT2ANAMPTGAA
SCHEMBL5282679 0.80 ALDH1A1 (0.45) SMN1; SMN2KMT2ANAMPTMAPTGAA
SCHEMBL5281031 0.80 HDAC3 (0.54) L3MBTL1PKMSMN1; SMN2KMT2AGAA
SCHEMBL5279924 0.79 KMT2A (0.48) KMT2ANAMPTGAA
SCHEMBL5281643 0.78 GPR119 (0.49) PKM
SCHEMBL5282756 0.78 RAB9A (0.50) SMN1; SMN2KMT2ANPSR1MAPTGAA
SCHEMBL5285995 0.77 HDAC3 (0.57) L3MBTL1PKMSMN1; SMN2KMT2AGAA
SCHEMBL5283230 0.76 HDAC3 (0.49) L3MBTL1PKMSMN1; SMN2KMT2AGAA

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 7 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
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 L3MBTL1 153/4885PKM 2287/4885SMN1; SMN2 3733/4885

“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.