SCHEMBL4987610

SCHEMBL4987610

NC(=O)CCCC(=O)NC[CH]c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
HDAC3 O15379 8/20 0.44
HDAC4 P56524 8/20 0.44
HDAC1 Q13547 8/20 0.44
HDAC2 Q92769 8/20 0.44
HDAC10 Q969S8 8/20 0.44
HDAC11 Q96DB2 8/20 0.44
HDAC8 Q9BY41 8/20 0.44
HDAC6 Q9UBN7 8/20 0.44
HDAC9 Q9UKV0 8/20 0.44
HDAC7 Q8WUI4 7/20 0.44
HDAC5 Q9UQL6 7/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NCOR2 Q9Y618 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4986583 0.92 L3MBTL1 (0.41) GAAHDAC3HDAC4HDAC1HDAC2
SCHEMBL4989279 0.85 MAOB (0.40) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL5892429 0.79 BCAT2 (0.46) GAAHDAC3HDAC4HDAC1HDAC2
SCHEMBL5664417 0.78 SMN1; SMN2 (0.47) GAAHDAC3HDAC4HDAC1HDAC2
SCHEMBL4986625 0.76 HTT (0.41) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL5330368 0.75 TBXAS1 (0.41) HDAC3HDAC4HDAC1HDAC2HDAC10
SCHEMBL7597698 0.75 TUBB4A (0.54) GAAHDAC3HDAC4HDAC1HDAC2
SCHEMBL4986436 0.74 TBXAS1 (0.47) GAAKMT2AMEN1MAPTLMNA
SCHEMBL608911 0.74 HDAC4 (0.66) GAAHDAC3HDAC4HDAC1HDAC2
SCHEMBL4984416 0.74 GAA (0.40) GAAHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393958-B2 Triamide-substituted heterobicyclic compounds PFIZER, INC. (US) 2008-07-01 US disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20070093525-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2007-04-26 US disclosed
EP-1716137-A1 SUBSTITUTED QUINOLINE COMPOUNDS Pfizer Products Incorporated (US) 2006-11-02 EP disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
WO-2005080373-A1 SUBSTITUTED QUINOLINE COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-09-01 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 (2 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-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 GAA 671/4885HDAC3 1489/4885HDAC4 2498/4885
US-20070093525-A1 Triamide-substituted heterobicyclic compounds APOB, MTPN, CTRB1 GAA 671/4885HDAC3 1489/4885HDAC4 2498/4885

“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.