SCHEMBL4464792

SCHEMBL4464792

CNOC.O=C(O)c1n[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
STAT3 P40763 1/20 0.68
HIF1A Q16665 1/20 0.68
YTHDC1 Q96MU7 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.57
FLT3 P36888 6/20 0.56
CDK2 P24941 2/20 0.56
CCNA2 P20248 1/20 0.56
CCNA1 P78396 1/20 0.56
IDO1 P14902 1/20 0.54
CTNNB1 P35222 2/20 0.51
WNT3A P56704 2/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PRKAG1 P54619 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL29444537 0.87 FLT3 (0.65) KDM4ESTAT3HIF1AYTHDC1SMN1; SMN2
SCHEMBL42245 0.87 FLT3 (0.65) KDM4ESTAT3HIF1AYTHDC1SMN1; SMN2
SCHEMBL27541852 0.85 FLT3 (0.63) KDM4ESTAT3HIF1AYTHDC1SMN1; SMN2
Hydrochloric Acid SCHEMBL4258298 0.85 FLT3 (0.63) KDM4ESTAT3HIF1AYTHDC1SMN1; SMN2
Hydrazine SCHEMBL27690059 0.84 FLT3 (0.61) KDM4ESTAT3HIF1AYTHDC1SMN1; SMN2
Hydrazine SCHEMBL27956766 0.82 FLT3 (0.59) KDM4ESTAT3HIF1AYTHDC1SMN1; SMN2
SCHEMBL29805260 0.81 KDM4E (1.00) KDM4ESTAT3HIF1AYTHDC1SMN1; SMN2
Methylene Chloride SCHEMBL28057236 0.81 CTNNB1 (0.60) KDM4ESTAT3HIF1AYTHDC1SMN1; SMN2
SCHEMBL498053 0.81 KDM4E (1.00) KDM4ESTAT3HIF1AYTHDC1SMN1; SMN2
SCHEMBL27730186 0.81 KDM4E (0.51) KDM4ESTAT3HIF1AYTHDC1SMN1; SMN2

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 KDM4E 656/4885STAT3 58/4885HIF1A 1209/4885

“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.