SCHEMBL3314294

SCHEMBL3314294

CCC(CC)Cc1ccnn1Cc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.45
MCHR1 Q99705 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
CMA1 P23946 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
UCHL1 P09936 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL5732108 0.86 NPBWR1 (0.47) NPBWR1MCHR1KDM4EMAPTALDH1A1
SCHEMBL3318304 0.84 NPBWR1 (0.50) NPBWR1MCHR1KDM4EMAPTALDH1A1
SCHEMBL2048063 0.80 NPBWR1 (0.49) NPBWR1MCHR1KDM4EMAPTALDH1A1
SCHEMBL2052679 0.80 NPBWR1 (0.49) NPBWR1MCHR1KDM4EMAPTALDH1A1
SCHEMBL5732324 0.79 NPBWR1 (0.46) NPBWR1MCHR1KDM4EMAPTALDH1A1
SCHEMBL5732307 0.77 MAPT (0.44) NPBWR1MCHR1KDM4EMAPTALDH1A1
SCHEMBL27884291 0.77 NPBWR1 (0.47) NPBWR1MCHR1KDM4EMAPTALDH1A1
SCHEMBL20745582 0.76 NPBWR1 (0.51) NPBWR1MCHR1KDM4EMAPTALDH1A1
SCHEMBL27884414 0.76 NPBWR1 (0.54) NPBWR1MCHR1KDM4EMAPTALDH1A1
SCHEMBL18399187 0.74 KDM4E (0.56) NPBWR1MCHR1KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674813-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2010-03-09 US disclosed
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2008-10-09 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

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-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE APP, IAPP, PARK7 NPBWR1 1184/4885MCHR1 1863/4885KDM4E 2422/4885

“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.