SCHEMBL4485930

SCHEMBL4485930

CC(C)n1nc(C(=O)c2ccc(O)cc2)c2cccc(C(F)(F)F)c21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.64
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RBP4 P02753 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
P4HB P07237 1/20 0.36
MAOB P27338 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4480374 0.89 ESR1 (0.56) ESR1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4484338 0.84 NR1H2 (0.50) ESR1SMN1; SMN2ALDH1A1NR1H2NR1H3
SCHEMBL4474677 0.81 ESR1 (0.47) ESR1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4025667 0.78 ESR1 (1.00) ESR1KMT2AMEN1MAPTESR2
SCHEMBL4478391 0.76 ESR1 (0.47) ESR1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL4027546 0.73 ESR1 (0.83) ESR1KMT2AMEN1MAPTESR2
SCHEMBL29321460 0.72 ESR1 (0.60) ESR1RBP4NR1H2NR1H3
SCHEMBL4031688 0.71 ESR1 (1.00) ESR1ESR2RORC
SCHEMBL6112212 0.71 ESR1 (0.56) ESR1SMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL4493386 0.69 CTNNB1 (0.40) ESR1LMNASMN1; SMN2KMT2AMEN1

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 ESR1 890/4885LMNA 2104/4885SMN1; SMN2 2781/4885

“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.