SCHEMBL4482585

SCHEMBL4482585

COc1cccc(C=O)c1-c1n[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 4/20 0.51
TLR2 O60603 1/20 0.43
ERN1 O75460 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
KDM4E B2RXH2 3/20 0.43
TTK P33981 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
MAPK10 P53779 2/20 0.43
ALPL P05186 1/20 0.43
IDO1 P14902 1/20 0.43
HPGD P15428 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
CDK4 P11802 1/20 0.42
CDK2 P24941 1/20 0.42
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AURKA O14965 1/20 0.40

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
SCHEMBL7149485 0.75 CYP2A6 (0.50) TLR2ERN1TLR1TLR6KDM4E
SCHEMBL30203585 0.74 ERN1 (0.66) TLR2ERN1TLR1TLR6KDM4E
SCHEMBL5382090 0.74 ITK (0.57) ITKKDM4ETTKALDH1A1GAA
SCHEMBL2988767 0.71 ERN1 (0.61) TLR2ERN1TLR1TLR6KDM4E
SCHEMBL31362059 0.71 ERN1 (0.61) TLR2ERN1TLR1TLR6KDM4E
SCHEMBL8846481 0.70 ERN1 (0.56) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL28453350 0.70 ERN1 (0.55) TLR2ERN1TLR1TLR6KDM4E
SCHEMBL30203664 0.70 ERN1 (0.55) TLR2ERN1TLR1TLR6KDM4E
SCHEMBL4312124 0.70 PTGS2 (0.51) ITKKDM4EALDH1A1GAACTNNB1
SCHEMBL4312133 0.70 PTGS2 (0.51) ITKKDM4EALDH1A1GAACTNNB1

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-7598286-B2 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2009-10-06 US disclosed
US-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 US disclosed
WO-2006050006-A2 ((1H-INDAZOL-3-YL)METHYL) PHENOLS AND (HYDROXYPHENYL)(1H-INDAZOL-3-YL) METHANONES AS LIGANDS OF THE ESTROGEN RECEPTOR WYETH (US) 2006-05-11 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-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones PTGS1, NOS3, PTGIS ITK 1327/4885TLR2 461/4885ERN1 3047/4885

“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.