SCHEMBL3543191

SCHEMBL3543191

O=C(O)N1C[C@@H]2C(NCc3ccccc3)[C@@H]2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.54
HDAC4 P56524 7/20 0.54
HDAC1 Q13547 7/20 0.54
HDAC7 Q8WUI4 7/20 0.54
HDAC2 Q92769 7/20 0.54
HDAC10 Q969S8 7/20 0.54
HDAC11 Q96DB2 7/20 0.54
HDAC8 Q9BY41 7/20 0.54
HDAC6 Q9UBN7 7/20 0.54
HDAC9 Q9UKV0 7/20 0.54
HDAC5 Q9UQL6 7/20 0.54
ALDH1A1 P00352 2/20 0.50
TEAD1 P28347 1/20 0.49
HRH2 P25021 1/20 0.46
ADRA1B P35368 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC6A3 Q01959 1/20 0.46
FUCA1 P04066 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL1012374 0.84 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22581169 0.80 GRM2 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28653100 0.78 DPP8 (0.48) MEN1KMT2ADPP8DPP9DPP7
SCHEMBL11889380 0.78 DPP8 (0.48) MEN1KMT2ADPP8DPP9DPP7
SCHEMBL6102343 0.78 FUCA1 (0.46) HDAC1HDAC2HDAC6FUCA1NPSR1
SCHEMBL3833535 0.78 FUCA1 (0.46) HDAC1HDAC2HDAC6FUCA1NPSR1
SCHEMBL11889561 0.78 DPP8 (0.48) MEN1KMT2ADPP8DPP9DPP7
SCHEMBL743896 0.78 FUCA1 (0.46) HDAC1HDAC2HDAC6FUCA1NPSR1
SCHEMBL3666587 0.78 FUCA1 (0.46) HDAC1HDAC2HDAC6FUCA1NPSR1
SCHEMBL16656041 0.77 GRM2 (0.43) HDAC1HDAC2HDAC6FUCA1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 HDAC3 585/4885HDAC4 949/4885HDAC1 590/4885

“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.