SCHEMBL3317044

SCHEMBL3317044

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.40
MCHR1 Q99705 5/20 0.40
NPBWR1 P48145 4/20 0.40
MAPT P10636 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP17A1 P05093 1/20 0.38
NR3C2 P08235 1/20 0.37
XDH P47989 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK14 Q16539 1/20 0.36
PTPN1 P18031 1/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 2/20 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
SCHEMBL3318194 0.84 POLB (0.47) HIF1ALMNACYP2C9MAPTPTGS1
SCHEMBL3316855 0.83 NPBWR1 (0.40) HIF1ALMNACYP2C9MCHR1NPBWR1
SCHEMBL3318294 0.80 HIF1A (0.41) HIF1AMCHR1NPBWR1MAPTPTGS2
SCHEMBL3318073 0.78 NPBWR1 (0.43) CYP2C9MCHR1NPBWR1MAPTSMN1; SMN2
SCHEMBL5732307 0.71 MAPT (0.44) HIF1ALMNACYP2C9MCHR1NPBWR1
SCHEMBL17910800 0.71 MAPT (0.49) HIF1ALMNACYP2C9MCHR1NPBWR1
SCHEMBL1491081 0.71 POLB (0.58) LMNACYP2C9NPBWR1MAPTPTGS1
SCHEMBL5732303 0.70 NPBWR1 (0.43) HIF1ALMNACYP2C9MCHR1NPBWR1
SCHEMBL3244643 0.69 CYP2C9 (0.52) HIF1ALMNACYP2C9MCHR1NPBWR1
SCHEMBL15553292 0.67 MAPT (0.48) HIF1ALMNACYP2C9MCHR1NPBWR1

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 HIF1A 3064/4885LMNA 2937/4885CYP2C9 726/4885
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE APP, IAPP, PARK7 HIF1A 3064/4885LMNA 2937/4885CYP2C9 726/4885
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 HIF1A 2753/4885LMNA 2624/4885CYP2C9 487/4885

“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.