SCHEMBL4484338

SCHEMBL4484338

CC(C)n1nc(C(=O)c2ccc(OCc3ccccc3)cc2)c2cccc(C(F)(F)F)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.50
NR1H3 Q13133 4/20 0.50
ESR1 P03372 2/20 0.48
SRD5A2 P31213 1/20 0.44
MAOB P27338 3/20 0.42
MAOA P21397 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NR4A2 P43354 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A3 Q92570 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PPARG P37231 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL4492330 0.81 NR1H2 (0.46) NR1H2NR1H3SRD5A2SMN1; SMN2NR4A2
SCHEMBL4492238 0.75 NR1H2 (0.52) NR1H2NR1H3SRD5A2MAOBMAOA
SCHEMBL8877290 0.70 HTR3A (0.47) HTTL3MBTL1RXRAMAPT
SCHEMBL1407090 0.69 NR1H2 (0.64) NR1H2NR1H3ESR1NR4A2NR4A1
SCHEMBL3232949 0.67 SRD5A2 (0.90) SRD5A2MAOBALDH1A1HTTSMN1; SMN2
SCHEMBL5147803 0.67 MAOB (0.57) SRD5A2MAOBALDH1A1HTTSMN1; SMN2
SCHEMBL7764407 0.67 NR4A2 (0.68) SRD5A2MAOBALDH1A1HTTSMN1; SMN2
SCHEMBL402300 0.66 SRD5A2 (0.87) SRD5A2MAOBALDH1A1HTTSMN1; SMN2
SCHEMBL8874898 0.66 HTR3A (0.48) SRD5A2MAOBRAB9A
SCHEMBL3863717 0.65 NR1H2 (0.77) NR1H2NR1H3ESR1RXRA

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 NR1H2 572/4885NR1H3 606/4885ESR1 890/4885

“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.