SCHEMBL21143005

SCHEMBL21143005

Fc1ccc(-c2c[nH]c3cc[c]cc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.60
TDO2 P48775 13/20 0.42
IDO1 P14902 1/20 0.39
PDGFRB P09619 1/20 0.38
IMPDH2 P12268 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL699272 0.87 NR4A2 (0.60) NR4A2TDO2IDO1PDGFRB
SCHEMBL19991853 0.85 NR4A2 (0.42) NR4A2TDO2IDO1CLK4
SCHEMBL19991846 0.83 IMPDH2 (0.46) NR4A2IMPDH2MAPK1HSD17B10CLK2
SCHEMBL28649429 0.77 NR4A2 (0.51) NR4A2TDO2PDGFRB
SCHEMBL9268634 0.75 NR4A2 (0.68) NR4A2TDO2IDO1
SCHEMBL1879218 0.75 NR4A2 (1.00) NR4A2TDO2PDGFRBIMPDH2MAPK1
SCHEMBL4459584 0.74 MPO (0.33) NR4A2IMPDH2
SCHEMBL20451462 0.73 TDO2 (0.60) NR4A2TDO2IDO1
SCHEMBL694880 0.71 MAPK14 (0.42)
SCHEMBL6981250 0.70 NR4A2 (0.60) NR4A2TDO2IDO1CLK1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-07-18 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-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS MGLL, LIPA, PNLIP NR4A2 4005/4885TDO2 3015/4885IDO1 669/4885

“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.