SCHEMBL3577781

SCHEMBL3577781

CCOC(=O)c1c(Cl)c2cc(I)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 2/20 0.42
TP53 P04637 6/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 5/20 0.39
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
NTRK1 P04629 1/20 0.38
FYN P06241 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
LTK P29376 1/20 0.38
GRK5 P34947 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
CDK8 P49336 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL3013050 0.89 MAPT (0.49) SMN1; SMN2THRBTP53POLBMAPT
SCHEMBL3571150 0.88 MAPT (0.45) SMN1; SMN2THRBTP53POLBMAPT
SCHEMBL3011861 0.88 MEN1 (0.51) SMN1; SMN2THRBTP53POLBMAPT
SCHEMBL3573520 0.86 SMN1; SMN2 (0.43) SMN1; SMN2THRBTP53POLBMAPT
SCHEMBL4918381 0.84 MAPT (0.46) SMN1; SMN2THRBTP53POLBMAPT
SCHEMBL4921615 0.84 MAPK1 (0.41) SMN1; SMN2THRBTP53POLBMAPT
SCHEMBL3010781 0.83 ELANE (0.44) SMN1; SMN2THRBTP53POLBMAPT
SCHEMBL4921999 0.83 CHRNA7 (0.42) SMN1; SMN2THRBTP53POLBMAPK1
SCHEMBL4914794 0.83 PTGES (0.46) SMN1; SMN2THRBTP53POLBPPARG
SCHEMBL3577723 0.82 MAOA (0.39) SMN1; SMN2THRBTP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
US-20090042949-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-02-12 US disclosed
US-20080249091-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-10-09 US disclosed
EP-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
WO-2008009924-A2 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-01-24 WO disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 US disclosed
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 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 (3 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES SMN1; SMN2 4318/4885THRB 1086/4885TP53 2179/4885
US-20080249091-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, ARG1 SMN1; SMN2 3645/4885THRB 639/4885TP53 894/4885
US-20090042949-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG SMN1; SMN2 3779/4885THRB 433/4885TP53 716/4885

“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.