SCHEMBL4493386

SCHEMBL4493386

O=C(c1ccc(O)cc1)c1n[nH]c2c(C(F)(F)F)cccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
P4HB P07237 1/20 0.39
MAOB P27338 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
BCHE P06276 1/20 0.39
CNR2 P34972 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
MAPT P10636 3/20 0.36
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
KIF11 P52732 1/20 0.36
LMNA P02545 4/20 0.36
HPGD P15428 3/20 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
SCHEMBL4479259 0.87 HSD17B1 (0.43) CTNNB1WNT3ACNR2SMN1; SMN2KDM4E
SCHEMBL4492238 0.82 NR1H2 (0.52) MAOBSMN1; SMN2NR1H2NR1H3HTT
SCHEMBL16240695 0.80 CTNNB1 (0.45) CTNNB1WNT3ACNR2SMN1; SMN2KDM4E
SCHEMBL16252832 0.79 CTNNB1 (0.44) CTNNB1WNT3ACNR2SMN1; SMN2KDM4E
SCHEMBL4485902 0.78 MAOB (0.47) MAOBCNR2SMN1; SMN2KDM4EMAPT
SCHEMBL4031966 0.76 ESR1 (0.50) SMN1; SMN2KDM4EHSD17B10MAPTKIF11
SCHEMBL6112218 0.76 CTNNB1 (0.41) CTNNB1WNT3ACNR2SMN1; SMN2KDM4E
SCHEMBL6102782 0.74 NOTUM (0.35) P4HBMAOBABCG2MAPTPKM
SCHEMBL20674188 0.74 KIF11 (0.46) CTNNB1WNT3ASMN1; SMN2KDM4EHSD17B10
SCHEMBL4469917 0.73 IDO1 (0.56) CTNNB1WNT3ASMN1; SMN2KDM4EMAPT

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-20060106084-A1 [(1H-indazol-3-yl)methyl]phenols and (hydroxyphenyl)(1H-indazol-3-yl)methanones WYETH (US) 2006-05-18 US claimed
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 CTNNB1 1720/4885WNT3A 1402/4885P4HB 2137/4885

“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.