SCHEMBL5280890

SCHEMBL5280890

O=C(COCc1ccc(F)cc1)NCCCc1ccc(O[C@@H]2CCNC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
FFAR4 Q5NUL3 3/20 0.39
LMNA P02545 1/20 0.39
EPHX2 P34913 2/20 0.38
RAB9A P51151 1/20 0.38
CCR1 P32246 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACACB O00763 1/20 0.37
LTA4H P09960 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
SCHEMBL5280898 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2FFAR4
SCHEMBL5287636 0.79 RAB9A (0.41) SLC6A2SLC6A4SLC6A3LMNARAB9A
SCHEMBL6038064 0.78 LMNA (0.49) LMNAEPHX2RAB9AMEN1KMT2A
SCHEMBL5325209 0.78 LMNA (0.51) LMNAEPHX2RAB9AMEN1KMT2A
SCHEMBL5280502 0.77 RAB9A (0.44) SLC6A2SLC6A4SLC6A3LMNARAB9A
SCHEMBL6037915 0.77 LMNA (0.50) LMNAEPHX2RAB9AMEN1KMT2A
SCHEMBL5278232 0.76 CCR1 (0.42) FFAR4EPHX2CCR1
SCHEMBL5278229 0.76 CCR1 (0.42) FFAR4EPHX2CCR1
SCHEMBL5286937 0.76 CCR1 (0.42) FFAR4EPHX2CCR1
SCHEMBL5277774 0.76 LMNA (0.51) LMNAEPHX2RAB9AMEN1KMT2A

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 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 SLC6A2 4450/4885SLC6A4 4364/4885SLC6A3 4067/4885

“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.