SCHEMBL5280502

SCHEMBL5280502

O=C(COCc1ccc(F)cc1)NCCCC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
NAMPT P43490 2/20 0.42
CCR5 P51681 1/20 0.42
PRMT3 O60678 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
PRSS1 P07477 1/20 0.40
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
F10 P00742 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
LMNA P02545 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CCR3 P51677 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL5282980 0.93 CHRM4 (0.42) RAB9AITGB3ITGA2BTPSAB1TPSD1
Hydrochloric Acid SCHEMBL5285785 0.92 CHRM4 (0.41) RAB9AITGB3ITGA2BTPSAB1TPSD1
SCHEMBL5287636 0.90 RAB9A (0.41) RAB9ANAMPTCCR5CHRM3LMNA
SCHEMBL5281643 0.79 GPR119 (0.49)
SCHEMBL6037902 0.78 RAB9A (0.50) RAB9ALMNA
SCHEMBL5280898 0.77 SLC6A2 (0.40) RAB9ALMNASLC6A2SLC6A4SLC6A3
SCHEMBL5280890 0.77 SLC6A2 (0.40) RAB9ALMNASLC6A2SLC6A4SLC6A3
SCHEMBL5280483 0.75 RAB9A (0.48) RAB9ALMNA
SCHEMBL5287840 0.75 NAMPT (0.41) RAB9ANAMPT
SCHEMBL5285221 0.75 AOC3 (0.51) RAB9ALMNASLC6A2SLC6A4SLC6A3

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 RAB9A 2884/4885NAMPT 1262/4885CCR5 4488/4885

“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.