SCHEMBL5519296

SCHEMBL5519296

O=C(NC[C@H]1CC[C@@H](COCc2ccccc2)CC1)c1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
CXCR3 P49682 3/20 0.47
CHRM4 P08173 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGIR P43119 1/20 0.46
BRD4 O60885 2/20 0.46

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
SCHEMBL5519300 1.00 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8285538 0.88 CCR5 (0.47) HDAC3MEN1KMT2APTGIR
SCHEMBL8285681 0.86 PTGIR (0.47) CHRM4MEN1KMT2APTGIR
SCHEMBL5523526 0.85 HPGD (0.48) HDAC3CXCR3CHRM4MEN1KMT2A
SCHEMBL5523794 0.85 HPGD (0.48) HDAC3CXCR3CHRM4MEN1KMT2A
SCHEMBL5523520 0.85 HPGD (0.48) HDAC3CXCR3CHRM4MEN1KMT2A
SCHEMBL5522706 0.85 HPGD (0.48) HDAC3CXCR3CHRM4MEN1KMT2A
SCHEMBL5522427 0.85 HPGD (0.48) HDAC3CXCR3CHRM4MEN1KMT2A
SCHEMBL5532633 0.85 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5532627 0.85 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US claimed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A HDAC3 57/4885HDAC4 196/4885HDAC1 33/4885

“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.