SCHEMBL1407288

SCHEMBL1407288

COc1ccc(-c2nn(Cc3ccccc3)c3c(Cl)cccc23)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
P2RX7 Q99572 2/20 0.44
PDE5A O76074 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
CRHR1 P34998 1/20 0.42
CHRM1 P11229 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPBWR1 P48145 1/20 0.41
OPRK1 P41145 5/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 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
SCHEMBL4033293 0.87 ESR1 (0.54) ESR1CRHR1
SCHEMBL4032692 0.85 ESR1 (0.53) ESR1CRHR1CHRM1PDE4BPDE4D
SCHEMBL4028791 0.80 ESR1 (0.50) ESR1CRHR1PDE4BPDE4DPIK3CD
SCHEMBL4033497 0.76 ESR1 (0.54) ESR1CRHR1PDE4APDE4BPDE4C
SCHEMBL4029900 0.75 ESR1 (0.71) ESR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4034557 0.74 ESR1 (0.44) ESR1ALDH1A1CRHR1CYP1A2CYP3A4
SCHEMBL1407200 0.74 NR1H2 (0.45) NR1H2NR1H3P2RX7PDE5AALDH1A1
SCHEMBL4030093 0.73 CRHR1 (0.44) ESR1CRHR1
SCHEMBL4034801 0.72 CRHR1 (0.43) ESR1P2RX7CRHR1MEN1KMT2A
SCHEMBL1407812 0.72 NR1H2 (0.43) NR1H2NR1H3ALDH1A1GAAPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP claimed
EP-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP disclosed
US-7592363-B2 Indazoles WYETH (US) 2009-09-22 US disclosed
US-20060030612-A1 Indazoles useful in treating cardiovascular diseases WYETH (US) 2006-02-09 US 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-20060030612-A1 Indazoles useful in treating cardiovascular diseases NR1H2, NR1H3, CYP46A1 ESR1 840/4885NR1H2 1/4885NR1H3 2/4885

“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.