SCHEMBL4928264

SCHEMBL4928264

O=C(NCCN1CCOCC1)c1ccc(-c2ccncc2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 4/20 0.68
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM5B Q9UGL1 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CD274 Q9NZQ7 5/20 0.52
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
MMP2 P08253 1/20 0.51

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
SCHEMBL4929843 0.88 HDAC3 (0.56) MMP12HDAC3HDAC4HDAC1HDAC7
SCHEMBL6450445 0.81 MMP12 (1.00) MMP12CD274GLAGAAMMP2
SCHEMBL277558 0.79 MEN1 (0.64) MMP12KMT2AMEN1L3MBTL1CD274
SCHEMBL279580 0.78 KMT2A (0.62) MMP12KMT2AMEN1L3MBTL1CD274
SCHEMBL5000477 0.78 AKT3 (0.66) MMP12KMT2AMEN1L3MBTL1LMNA
SCHEMBL23983071 0.77 NPC1 (0.57) MMP12KMT2ACD274GAAMMP2
SCHEMBL277405 0.77 KMT2A (0.61) MMP12KMT2AMEN1L3MBTL1CD274
SCHEMBL11919030 0.77 KMT2A (0.61) MMP12KMT2AMEN1L3MBTL1CD274
Hydrochloric Acid SCHEMBL21625705 0.77 NPC1 (0.56) MMP12KMT2ACD274GAAMMP2
SCHEMBL13354501 0.76 KMT2A (0.60) MMP12KMT2AMEN1L3MBTL1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US claimed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP claimed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP claimed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 WO claimed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
US-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN MMP12 2442/4885KMT2A 4386/4885MEN1 362/4885

“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.