SCHEMBL2777064

SCHEMBL2777064

N#Cc1cccc2c1ccn2CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.67
KMT2A Q03164 5/20 0.51
POLB P06746 1/20 0.47
PRMT5 O14744 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
APP P05067 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42

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
SCHEMBL1796529 0.87 STAT3 (0.50) STAT3KMT2APOLBPRMT5ALDH1A1
SCHEMBL16234643 0.87 STAT3 (0.50) STAT3KMT2APOLBPRMT5ALDH1A1
SCHEMBL28808827 0.83 POLB (0.70) STAT3KMT2APOLBPRMT5ALDH1A1
SCHEMBL418623 0.83 STAT3 (0.50) STAT3KMT2APOLBPRMT5ALDH1A1
SCHEMBL10113694 0.81 MAPT (0.71) STAT3KMT2APOLBALDH1A1MAPT
SCHEMBL14884740 0.80 STAT3 (1.00) STAT3KMT2APOLBALDH1A1MAPT
SCHEMBL21325746 0.79 PRMT5 (0.50) STAT3KMT2APOLBPRMT5ALDH1A1
SCHEMBL20656048 0.78 NR3C1 (0.47) STAT3KMT2APOLBPRMT5ALDH1A1
SCHEMBL3169119 0.78 KMT2A (0.57) STAT3KMT2AALDH1A1PPARGPPARA
SCHEMBL1249602 0.77 ALDH1A1 (0.68) STAT3KMT2APRMT5ALDH1A1MAPT

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
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 STAT3 1867/4885KMT2A 2344/4885POLB 4380/4885

“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.