SCHEMBL3316855

SCHEMBL3316855

CCC(CC)C(O)c1ccnn1-c1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 5/20 0.40
MCHR1 Q99705 5/20 0.40
MAPT P10636 3/20 0.40
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
PDE4D Q08499 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP17A1 P05093 1/20 0.38
NR3C2 P08235 1/20 0.37
MAPK14 Q16539 1/20 0.36
PTPN1 P18031 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
S1PR4 O95977 1/20 0.36

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
SCHEMBL3319046 0.84 POLB (0.43) HIF1AALDH1A1HPGDLMNACYP2C9
SCHEMBL3317044 0.83 HIF1A (0.42) NPBWR1MCHR1MAPTHIF1ASMN1; SMN2
SCHEMBL3316864 0.80 HIF1A (0.39) NPBWR1MCHR1MAPTHIF1ASMN1; SMN2
SCHEMBL3319395 0.78 NPBWR1 (0.43) NPBWR1MCHR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5732307 0.71 MAPT (0.44) NPBWR1MCHR1MAPTHIF1ASMN1; SMN2
SCHEMBL5732303 0.70 NPBWR1 (0.43) NPBWR1MCHR1MAPTHIF1ASMN1; SMN2
SCHEMBL3244643 0.69 CYP2C9 (0.52) NPBWR1MCHR1MAPTHIF1ASMN1; SMN2
SCHEMBL17910800 0.68 MAPT (0.49) NPBWR1MCHR1MAPTHIF1ASMN1; SMN2
SCHEMBL1491081 0.67 POLB (0.58) NPBWR1MAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL15553292 0.67 MAPT (0.48) NPBWR1MCHR1MAPTHIF1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144812-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production Containing an Azole WYETH LLP (US) 2010-06-10 US disclosed
US-7674813-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2010-03-09 US disclosed
EP-1709003-B1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH CORP (US) 2009-09-23 EP disclosed
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2008-10-09 US disclosed
US-7399778-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2008-07-15 US disclosed
EP-1709003-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE Wyeth (US) 2006-10-11 EP disclosed
WO-2005073198-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2005-08-11 WO disclosed
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole WYETH (US) 2005-08-04 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 (3 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-20100144812-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production Containing an Azole APP, IAPP, PARK7 NPBWR1 1184/4885MCHR1 1863/4885MAPT 524/4885
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE APP, IAPP, PARK7 NPBWR1 1184/4885MCHR1 1863/4885MAPT 524/4885
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 NPBWR1 1071/4885MCHR1 1376/4885MAPT 1135/4885

“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.