SCHEMBL5285221

SCHEMBL5285221

O=C(COCc1ccc(F)cc1)NCCCCCc1csc(C2CCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.51
TP53 P04637 5/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.35
HTR1A P08908 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
RAB9A P51151 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5280652 0.85 KMT2A (0.40) TP53LMNAPOLBALDH1A1
SCHEMBL5287864 0.83 GPR119 (0.46) TP53LMNAALDH1A1
Hydrochloric Acid SCHEMBL6038158 0.83 DDR2 (0.39) AOC3TP53LMNAMAPTRAB9A
SCHEMBL5279824 0.83 FAAH (0.42)
SCHEMBL5288293 0.83 ALDH1A1 (0.40) LMNAPOLBALDH1A1GAA
SCHEMBL5280650 0.81 RAB9A (0.45) TP53LMNAMAPTRAB9AHDAC1
SCHEMBL5286061 0.80 ALDH1A1 (0.55) TP53LMNAMAPTPOLBALDH1A1
SCHEMBL5275941 0.80 TP53 (0.55) TP53LMNAMAPTPOLBALDH1A1
SCHEMBL5282822 0.80 HDAC1 (0.46) TP53LMNAMAPTRAB9AHDAC1
SCHEMBL5282979 0.79 TP53 (0.43) TP53LMNAMAPTRAB9AHDAC1

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 AOC3 3937/4885TP53 2551/4885LMNA 851/4885

“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.