SCHEMBL5282768

SCHEMBL5282768

O=C(COCc1ccc(F)cc1)NCCCCOc1cccc(CN2CCC(OC(=O)NCc3cccnc3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
F10 P00742 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SLC6A5 Q9Y345 1/20 0.39
FAAH O00519 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 2/20 0.38
TBXA2R P21731 2/20 0.38
TBXAS1 P24557 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5282761 0.87 HRH2 (0.41) HRH2HRH3F10KDM4EFAAH
SCHEMBL5285079 0.85 CCR3 (0.45) HRH2HRH3F10KDM4ESLC6A5
SCHEMBL5280500 0.81 CCR3 (0.52) F10SLC6A5
SCHEMBL5285712 0.78 MEN1 (0.51) HRH2HRH3KMT2A
SCHEMBL5291389 0.75 HRH2 (0.58) HRH2HRH3KDM4E
SCHEMBL5277819 0.75 HRH2 (0.69) HRH2HRH3
SCHEMBL5278692 0.75 HRH2 (0.53) HRH2HRH3KMT2A
SCHEMBL5290421 0.75 HRH2 (0.53) HRH2HRH3
SCHEMBL6038175 0.72 ADRA1A (0.46) HRH2HRH3KMT2ALMNA
SCHEMBL5293720 0.72 L3MBTL1 (0.58) HRH2HRH3KMT2ALMNA

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 3 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

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 HRH2 1197/4885HRH3 339/4885F10 1306/4885

“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.