SCHEMBL4978745

SCHEMBL4978745

O=C(NC(C(=O)c1ccc(F)cc1)c1ccncc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 1/20 0.56
▸ NPC1 O15118 2/20 0.52
▸ GSK3B P49841 5/20 0.48
▸ ROCK1 Q13464 5/20 0.48
▸ CLK4 Q9HAZ1 5/20 0.48
▸ RPS6KA5 O75582 4/20 0.48
▸ AKT1 P31749 4/20 0.48
▸ PRKCD Q05655 4/20 0.48
▸ PRKG2 Q13237 4/20 0.48
▸ PRKG1 Q13976 4/20 0.48
▸ PKN2 Q16513 4/20 0.48
▸ GSK3A P49840 4/20 0.48
▸ ROCK2 O75116 3/20 0.48
▸ MAP4K4 O95819 3/20 0.48
▸ CDK1 P06493 3/20 0.48
▸ RPS6KB1 P23443 3/20 0.48
▸ CDK2 P24941 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ RPS6KA3 P51812 3/20 0.48
▸ CDC42BPA Q5VT25 3/20 0.48

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
SCHEMBL7047478 0.95 SLC6A9 (0.56) SLC6A9NPC1GSK3BROCK1CLK4
SCHEMBL4978454 0.92 ALDH1A1 (0.54) GSK3BROCK1CLK4RPS6KA5AKT1
SCHEMBL14595548 0.90 NPC1 (0.63) SLC6A9NPC1ALDH1A1LMNAGAA
SCHEMBL7045241 0.87 ALDH1A1 (0.55) GSK3BROCK1CLK4RPS6KA5AKT1
SCHEMBL6707538 0.82 LTA4H (0.47) SLC6A9NPC1ROCK2ALDH1A1CYP3A4
SCHEMBL14595547 0.81 LMNA (0.56) NPC1ALDH1A1LMNACYP3A4RAB9A
SCHEMBL7048161 0.78 ALDH1A1 (0.55) NPC1GSK3BROCK1CLK4RPS6KA5
SCHEMBL6708325 0.77 L3MBTL1 (0.59) SLC6A9ALDH1A1LMNACYP3A4CYP2C9
SCHEMBL10350829 0.76 NPC1 (0.59) SLC6A9NPC1ALDH1A1LMNACYP3A4
SCHEMBL27244203 0.75 NPC1 (0.58) NPC1ALDH1A1LMNAGAARAB9A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101426503-A Compositions and methods of treatment for inhibiting kinase and/or HMG-COA reductase PHARMIX CORP (US) 2009-05-06 — — CN disclosed
US-20080021054-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2008-01-24 — — US disclosed
US-20080021054-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2008-01-24 — — US disclosed
US-20080021054-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2008-01-24 — — US disclosed
US-7199126-B2 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase PHARMIX CORPORATION (US) 2007-04-03 — — US disclosed
US-7199126-B2 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase PHARMIX CORPORATION (US) 2007-04-03 — — US disclosed
US-7199126-B2 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase PHARMIX CORPORATION (US) 2007-04-03 — — US disclosed
EP-1755607-A2 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE Pharmix Corporation (US) 2007-02-28 — — EP disclosed
US-7183285-B2 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase PHARMIX CORP. (US) 2007-02-27 — — US disclosed
US-7183285-B2 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase PHARMIX CORP. (US) 2007-02-27 — — US disclosed
US-20070004758-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2007-01-04 — — US disclosed
US-20070004758-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2007-01-04 — — US disclosed
US-20070004758-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE NUMERATE, INC. 2007-01-04 — — US disclosed
US-20060084695-A1 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase NUMERATE, INC. 2006-04-20 — — US disclosed
WO-2006028524-A2 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE PHARMIX CORPORATION (US) 2006-03-16 — — WO disclosed
US-20050288306-A1 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase NUMERATE, INC. 2005-12-29 — — US disclosed
US-20050282883-A1 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase NUMERATE, INC. 2005-12-22 — — US disclosed
US-20050277653-A1 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase NUMERATE, INC. 2005-12-15 — — US disclosed
US-20050272770-A1 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase NUMERATE, INC. 2005-12-08 — — US disclosed
US-20050261354-A1 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase NUMERATE, INC. 2005-11-24 — — US 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 (8 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-20050288306-A1 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase HMGCR, HMGB3, HMGB2 SLC6A9 4669/4885NPC1 619/4885GSK3B 31/4885
US-20050282883-A1 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase HMGCR, HMGB3, HMGB2 SLC6A9 4652/4885NPC1 584/4885GSK3B 23/4885
US-20060084695-A1 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase HMGCR, HMGB3, HMGB2 SLC6A9 4669/4885NPC1 619/4885GSK3B 31/4885
US-20050277653-A1 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase HMGCR, HMGB3, HMGB2 SLC6A9 4669/4885NPC1 619/4885GSK3B 31/4885
US-20070004758-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE HMGCR, HMGB3, HMGB2 SLC6A9 4669/4885NPC1 619/4885GSK3B 31/4885
US-20050261354-A1 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase HMGCR, HMGB3, HMGB2 SLC6A9 4669/4885NPC1 619/4885GSK3B 31/4885
US-20080021054-A1 COMPOSITIONS AND TREATMENTS FOR INHIBITING KINASE AND/OR HMG-COA REDUCTASE HMGCR, HMGB3, HMGB2 SLC6A9 4669/4885NPC1 619/4885GSK3B 31/4885
US-20050272770-A1 Compositions and treatments for inhibiting kinase and/or HMG-CoA reductase HMGCR, HMGB3, HMGB2 SLC6A9 4669/4885NPC1 619/4885GSK3B 31/4885

“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.

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