SCHEMBL4469917

SCHEMBL4469917

O=C(c1ccc(O)cc1)c1n[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.56
KDM4E B2RXH2 3/20 0.54
YTHDC1 Q96MU7 1/20 0.54
STAT3 P40763 1/20 0.54
HIF1A Q16665 1/20 0.54
CTNNB1 P35222 2/20 0.54
WNT3A P56704 2/20 0.54
FLT3 P36888 5/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CCNA1 P78396 1/20 0.51
MAP2K4 P45985 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL5792748 0.88 CTNNB1 (0.67) IDO1KDM4EYTHDC1STAT3HIF1A
SCHEMBL2978440 0.86 FLT3 (0.63) IDO1KDM4EYTHDC1STAT3HIF1A
SCHEMBL31148407 0.84 KDM4E (0.66) IDO1KDM4EYTHDC1STAT3HIF1A
SCHEMBL7668372 0.84 KDM4E (0.66) IDO1KDM4EYTHDC1STAT3HIF1A
SCHEMBL6112119 0.83 CTNNB1 (0.54) IDO1KDM4EYTHDC1STAT3HIF1A
SCHEMBL4469913 0.77 KDR (0.55) IDO1KDM4EYTHDC1STAT3HIF1A
SCHEMBL29365548 0.77 FLT3 (0.81) IDO1YTHDC1FLT3CCNA2CDK2
SCHEMBL29444537 0.75 FLT3 (0.65) IDO1KDM4EYTHDC1STAT3HIF1A
SCHEMBL42245 0.75 FLT3 (0.65) IDO1KDM4EYTHDC1STAT3HIF1A
SCHEMBL5353834 0.75 FLT3 (0.65) IDO1KDM4EYTHDC1STAT3HIF1A

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 IDO1 127/4885KDM4E 656/4885YTHDC1 3021/4885

“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.