SCHEMBL4493290

SCHEMBL4493290

FC(F)(F)c1cccc2c(Br)n[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ AXL P30530 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PARP1 P09874 1/20 0.38
▸ AR P10275 2/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ NOTUM Q6P988 3/20 0.34
▸ CES1 P23141 1/20 0.34
▸ ENPP3 O14638 1/20 0.34
▸ ENPP1 P22413 1/20 0.34

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
SCHEMBL2661233 0.80 CHEK1 (0.55) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL13122112 0.80 KIF11 (0.47) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL20674188 0.79 KIF11 (0.46) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL4240411 0.79 KIF11 (0.46) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL10220393 0.76 KIF11 (0.47) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL13115644 0.76 KIF11 (0.44) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL1407075 0.76 ALDH1A1 (0.49) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL11903870 0.76 GPR84 (0.39) ALDH1A1LMNAPARP1ARCHEK1
SCHEMBL11698454 0.75 KIF11 (0.42) KIF11SMN1; SMN2KDM4EHSD17B10AXL
SCHEMBL10271522 0.75 KIF11 (0.46) KIF11SMN1; SMN2KDM4EHSD17B10AXL

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 KIF11 4022/4885SMN1; SMN2 2781/4885KDM4E 656/4885

“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.

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