SCHEMBL4881273

SCHEMBL4881273

C=CCOc1cc(C(=O)O)cc(-c2ncco2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
CREBBP Q92793 1/20 0.41
LTA4H P09960 12/20 0.41
FFAR1 O14842 1/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4875244 0.87 GLRA3 (0.59) GLRA3GLRBBRD4BRD2CREBBP
SCHEMBL3945431 0.87 ALDH1A1 (0.53) GLRA3GLRBBRD4BRD2CREBBP
SCHEMBL20838307 0.78 MEN1 (0.51) FFAR1KDM4ENPC1RAB9AGAA
SCHEMBL644797 0.78 FFAR1 (0.49) FFAR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10212048 0.78 GLRA3 (0.43) GLRA3GLRBBRD4LTA4HKDM4E
SCHEMBL4876369 0.77 BRD4 (0.40) BRD4BRD2CREBBPFFAR1KDM4E
SCHEMBL3941088 0.75 GLRA3 (0.58) GLRA3GLRBBRD4BRD2CREBBP
SCHEMBL4188721 0.74 RAB9A (0.53) KDM4ENPC1RAB9ATSHRALDH1A1
SCHEMBL3175925 0.73 GLRA3 (0.38) GLRA3GLRBBRD4BRD2CREBBP
SCHEMBL20256885 0.73 GLRA3 (0.49) GLRA3GLRBBRD4BRD2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP GLRA3 3696/4885GLRB 1381/4885BRD4 299/4885

“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.