SCHEMBL4469913

SCHEMBL4469913

O=C(c1ccccc1O)c1n[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.55
FLT1 P17948 4/20 0.55
KDM4E B2RXH2 2/20 0.54
YTHDC1 Q96MU7 1/20 0.54
STAT3 P40763 1/20 0.54
HIF1A Q16665 1/20 0.54
CTNNB1 P35222 5/20 0.52
WNT3A P56704 5/20 0.52
FLT3 P36888 2/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCNA1 P78396 1/20 0.51
IDO1 P14902 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
EPHB3 P54753 1/20 0.47

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
SCHEMBL7668372 0.84 KDM4E (0.66) KDRFLT1KDM4EYTHDC1STAT3
SCHEMBL31148407 0.84 KDM4E (0.66) KDRFLT1KDM4EYTHDC1STAT3
SCHEMBL25434894 0.83 KDR (0.54) KDRFLT1KDM4EYTHDC1STAT3
SCHEMBL5792748 0.78 CTNNB1 (0.67) KDRFLT1KDM4EYTHDC1STAT3
SCHEMBL6254946 0.78 NPC1 (0.53) KDRFLT1KDM4EYTHDC1STAT3
SCHEMBL4469917 0.77 IDO1 (0.56) KDRFLT1KDM4EYTHDC1STAT3
SCHEMBL29444537 0.75 FLT3 (0.65) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL5353834 0.75 FLT3 (0.65) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL42245 0.75 FLT3 (0.65) KDM4EYTHDC1STAT3HIF1ACTNNB1
SCHEMBL591861 0.74 KDM4E (0.62) KDM4EYTHDC1STAT3HIF1ACTNNB1

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 5 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-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
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 KDR 4234/4885FLT1 2297/4885KDM4E 656/4885

“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.