SCHEMBL4931342

SCHEMBL4931342

O=C(Nc1ccccc1)c1ccc(-c2ccncc2)s1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.80
RAB9A P51151 3/20 0.80
PPARG P37231 1/20 0.80
NCOA2 Q15596 1/20 0.80
NCOA1 Q15788 1/20 0.80
NCOA3 Q9Y6Q9 1/20 0.80
ESRRG P62508 4/20 0.72
PTPN11 Q06124 2/20 0.72
PTPN1 P18031 1/20 0.72
MAPT P10636 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
KDM4E B2RXH2 3/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
HDAC1 Q13547 2/20 0.68
HDAC3 O15379 1/20 0.68
HDAC4 P56524 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC2 Q92769 1/20 0.68
HDAC10 Q969S8 1/20 0.68

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
SCHEMBL14849810 0.89 NPC1 (1.00) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL23091256 0.86 NPC1 (0.76) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL4930772 0.86 ESRRG (0.73) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL20764358 0.84 HDAC3 (0.58) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL20764056 0.84 ESRRG (1.00) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL20764243 0.83 HDAC3 (0.61) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL20764061 0.83 NPC1 (0.75) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL4929228 0.82 SMN1; SMN2 (0.82) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL20764045 0.82 IDE (0.62) NPC1RAB9APPARGNCOA2NCOA1
SCHEMBL20764069 0.82 ESRRG (0.74) NPC1RAB9APPARGNCOA2NCOA1

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 NPC1 204/4885RAB9A 1684/4885PPARG 318/4885

“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.