SCHEMBL4677259

SCHEMBL4677259

COC(=O)/C(CSc1ccc(C)cc1)=N\O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 3/20 0.47
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL4677261 1.00 NPC1 (0.49) NPC1TP53HPGDUSP2L3MBTL1
SCHEMBL4677116 0.86 SMN1; SMN2 (0.44) NPC1TP53HPGDUSP2L3MBTL1
SCHEMBL4677112 0.86 SMN1; SMN2 (0.44) NPC1TP53HPGDUSP2L3MBTL1
SCHEMBL4673987 0.82 CTBP2 (0.57) NPC1TP53HPGDUSP2L3MBTL1
SCHEMBL4673984 0.82 CTBP2 (0.57) NPC1TP53HPGDUSP2L3MBTL1
SCHEMBL4677954 0.79 RAB9A (0.53) NPC1TP53HPGDUSP2L3MBTL1
SCHEMBL4677949 0.79 RAB9A (0.53) NPC1TP53HPGDUSP2L3MBTL1
SCHEMBL4674189 0.73 ALDH1A1 (0.53) NPC1TP53HPGDMAPTRAB9A
SCHEMBL4674194 0.73 ALDH1A1 (0.53) NPC1TP53HPGDMAPTRAB9A
SCHEMBL15395936 0.72 MAPT (0.43) NPC1TP53HPGDL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP claimed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP claimed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP claimed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US claimed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 WO claimed
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP disclosed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP disclosed
US-6916850-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
US-6900218-B2 Pyruvate derivatives GALILEO PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP disclosed
US-6608196-B2 Structurally diverse; parallel approach GALILEO PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20030100750-A1 Process for solid supported synthesis of pyruvate-derived compounds EDISON PHARMACEUTICALS, INC. 2003-05-29 US disclosed
US-20030013656-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013846-A1 Pyruvate derivatives ALLOY VENTURES, INC. 2003-01-16 US disclosed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 US disclosed
US-20030013657-A1 Pyruvate derivatives MONSANTO TECHNOLOGY, LLC. 2003-01-16 US disclosed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 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 (5 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-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 NPC1 1554/4885TP53 951/4885HPGD 43/4885
US-20030013657-A1 Pyruvate derivatives PC, PDK1, PDK4 NPC1 1767/4885TP53 1277/4885HPGD 110/4885
US-20030100750-A1 Process for solid supported synthesis of pyruvate-derived compounds PC, PDK4, PDK1 NPC1 2868/4885TP53 2821/4885HPGD 648/4885
US-20030013846-A1 Pyruvate derivatives PC, PDK1, PDK4 NPC1 1767/4885TP53 1277/4885HPGD 110/4885
US-20030013656-A1 Pyruvate derivatives PC, PDK1, PDK4 NPC1 1767/4885TP53 1277/4885HPGD 110/4885

“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.