SCHEMBL3000522

SCHEMBL3000522

CCOC(=O)c1c(CN2CCOCC2)c2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.48
TSHR P16473 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 3/20 0.39
STAT3 P40763 1/20 0.39
RAB9A P51151 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3000561 0.90 PTGES (0.55) PTGESTSHRMEN1KMT2AMAPK8
SCHEMBL3012072 0.85 PTGES (0.51) PTGESMEN1KMT2AMAPK8SMN1; SMN2
SCHEMBL4021254 0.83 PTGES (0.59) PTGESKMT2ASMN1; SMN2MAPT
SCHEMBL4698398 0.83 PTGES (0.55) PTGESMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1407310 0.82 PTGES (0.49) PTGESMAPK8SMN1; SMN2MAPT
SCHEMBL3007629 0.81 PTGES (0.56) PTGES
SCHEMBL334000 0.81 PTGES (0.48) PTGESMEN1KMT2AMAPK8SMN1; SMN2
SCHEMBL4700259 0.81 BTK (0.41) PTGESTSHRNPSR1SMN1; SMN2MAPK1
SCHEMBL334136 0.81 PTGES (0.53) PTGESSMN1; SMN2MAPT
SCHEMBL4700726 0.81 PTGES (0.53) PTGESMAPK8SMN1; SMN2MAPK1MAPT

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-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 PTGES 33/4885TSHR 810/4885NPSR1 189/4885

“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.