SCHEMBL4475989

SCHEMBL4475989

CC(C)=CCn1nc(C(=O)c2cccc(O)c2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ELANE P08246 11/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
F2 P00734 1/20 0.35
PLAU P00749 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
PMP22 Q01453 1/20 0.35
HIF1A Q16665 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
SCHEMBL4481869 0.86 CLK1 (0.39) CYP2C19MEN1POLBKMT2ACLK1
SCHEMBL4481873 0.86 CLK1 (0.39) CYP2C19MEN1POLBKMT2ACLK1
SCHEMBL4474789 0.86 CYP2C19 (0.38) CYP2C19MEN1POLBKMT2ACLK1
SCHEMBL4491938 0.83 CYP2C19 (0.40) CYP2C19MEN1POLBKMT2ACLK1
SCHEMBL4473871 0.82 CNR1 (0.43) CYP2C19CLK1DYRK1ADYRK1BELANE
SCHEMBL4493511 0.81 CYP2C19 (0.41) CYP2C19CLK1DYRK1ADYRK1BELANE
SCHEMBL4481117 0.80 PTGER4 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL6953101 0.79 TSHR (0.50) MEN1POLBKMT2AELANECYP1A2
SCHEMBL8875507 0.78 ELANE (0.49) ELANEPARP1
SCHEMBL6952219 0.78 CYP1A2 (0.41) ELANECYP1A2CYP3A4CYP2D6CYP2C9

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 CYP2C19 70/4885MEN1 3062/4885POLB 3884/4885

“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.