SCHEMBL5285712

SCHEMBL5285712

O=C(COCc1ccc(F)cc1)NCCCCOc1cccc(CN2CCC(Cc3ccccc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CCR3 P51677 6/20 0.50
HRH2 P25021 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CHRM4 P08173 2/20 0.49
HTR2A P28223 1/20 0.48

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
SCHEMBL5278692 0.98 HRH2 (0.53) MEN1KMT2ACCR3HRH2HRH3
SCHEMBL5291389 0.88 HRH2 (0.58) HRH2HRH3
SCHEMBL5290421 0.88 HRH2 (0.53) HRH2HRH3CHRM4
SCHEMBL5277819 0.85 HRH2 (0.69) HRH2HRH3
SCHEMBL5280500 0.81 CCR3 (0.52) CCR3HTR2A
SCHEMBL11143532 0.81 HRH2 (0.74) HRH2HRH3
SCHEMBL5293720 0.80 L3MBTL1 (0.58) MEN1KMT2AHRH2HRH3HTR2A
SCHEMBL5281631 0.80 CHRM4 (0.67) CHRM4
SCHEMBL5282768 0.78 HRH2 (0.41) KMT2AHRH2HRH3
SCHEMBL5285079 0.78 CCR3 (0.45) CCR3HRH2HRH3

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 4 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
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US 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 MEN1 2348/4885KMT2A 30/4885CCR3 3790/4885

“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.