SCHEMBL4548440

SCHEMBL4548440

COC(=O)/C=C/c1cnc(-n2cc(O[Si](C)(C)C(C)(C)C)cn2)s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.38
HDAC4 P56524 15/20 0.38
HDAC1 Q13547 15/20 0.38
HDAC7 Q8WUI4 15/20 0.38
HDAC2 Q92769 15/20 0.38
HDAC10 Q969S8 15/20 0.38
HDAC11 Q96DB2 15/20 0.38
HDAC8 Q9BY41 15/20 0.38
HDAC6 Q9UBN7 15/20 0.38
HDAC9 Q9UKV0 15/20 0.38
HDAC5 Q9UQL6 15/20 0.38
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL4548437 0.82 KCNJ1 (0.42)
SCHEMBL4548441 0.80 CRBN (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10312549 0.79 HDAC1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4548435 0.77 HCAR2 (0.41)
SCHEMBL30993007 0.69 HDAC1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14164231 0.65 CKS1B (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4525033 0.60 PREP (0.34)
SCHEMBL2408981 0.60 KDM4E (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2408983 0.60 KDM4E (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2144162 0.59 NFE2L2 (0.54) KMT2AMEN1KDM4E

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-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 HDAC3 1144/4885HDAC4 1672/4885HDAC1 1331/4885

“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.