SCHEMBL4929202

SCHEMBL4929202

CN1CCN(C(=O)c2ccc(-c3ccncc3)s2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.65
▸ NPC1 O15118 3/20 0.65
▸ RAB9A P51151 3/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ ERN1 O75460 2/20 0.53
▸ HDAC3 O15379 1/20 0.52
▸ HDAC4 P56524 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ HRH4 Q9H3N8 3/20 0.46
▸ TBK1 Q9UHD2 1/20 0.45

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
SCHEMBL4923412 0.82 MAPT (0.61) KDM4ENPC1RAB9AALDH1A1HDAC3
SCHEMBL4926706 0.78 NPC1 (0.62) KDM4ENPC1RAB9AALDH1A1HDAC3
SCHEMBL4925746 0.76 GAA (0.55) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL12228180 0.75 POLB (0.66) ALDH1A1MKNK1MKNK2LMNASMN1; SMN2
SCHEMBL12121414 0.74 HPGD (0.62) KDM4ENPC1RAB9AALDH1A1ERN1
SCHEMBL11973122 0.74 CYP3A4 (0.68) KDM4ENPC1RAB9AALDH1A1ERN1
SCHEMBL23982985 0.74 ERN1 (0.69) KDM4ENPC1RAB9AALDH1A1ERN1
SCHEMBL27605094 0.73 HDAC1 (0.71) NPC1RAB9AALDH1A1HDAC3HDAC4
SCHEMBL13618033 0.72 L3MBTL1 (0.61) KDM4EALDH1A1ERN1SLC6A7MAPT
SCHEMBL3577430 0.72 RECQL (0.67) KDM4EALDH1A1SLC6A7

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 KDM4E 4493/4885NPC1 204/4885RAB9A 1684/4885

“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.

Send feedback