SCHEMBL4493511

SCHEMBL4493511

CC(C)Cn1nc(C(=O)c2cccc(O)c2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ELANE P08246 7/20 0.39
HTR3A P46098 3/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ESRRA P11474 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL4494340 0.84 ELANE (0.37) ELANEF2PLAU
SCHEMBL4473871 0.84 CNR1 (0.43) CYP2C19ALDH1A1HPGDELANECLK1
SCHEMBL4491938 0.82 CYP2C19 (0.40) CYP2C19ALDH1A1HPGDKDM4EELANE
SCHEMBL4481117 0.82 PTGER4 (0.54) ALDH1A1HPGDCNR1CNR2
SCHEMBL4478228 0.81 HTR4 (0.46) CYP2C19KDM4EELANEF2PLAU
SCHEMBL4481873 0.81 CLK1 (0.39) CYP2C19ELANEF2PLAUCLK1
SCHEMBL4481869 0.81 CLK1 (0.39) CYP2C19ELANEF2PLAUCLK1
SCHEMBL4475989 0.81 CYP2C19 (0.39) CYP2C19ELANEF2PLAUCLK1
SCHEMBL4474789 0.81 CYP2C19 (0.38) CYP2C19MAPTALDH1A1KDM4EELANE
SCHEMBL24247716 0.78 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EELANEHTR3A

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
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 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

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 CYP2C19 70/4885TP53 1376/4885MAPT 3411/4885

“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.