SCHEMBL3009481

SCHEMBL3009481

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
THRB P10828 2/20 0.48
MAPT P10636 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 3/20 0.46
POLB P06746 2/20 0.45
ATM Q13315 1/20 0.44
HTT P42858 2/20 0.43
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL335076 0.94 SMN1; SMN2 (0.50) KMT2AMEN1SMN1; SMN2THRBMAPT
SCHEMBL3007173 0.89 MAPT (0.46) SMN1; SMN2THRBMAPTALDH1A1TP53
SCHEMBL3571150 0.87 MAPT (0.45) SMN1; SMN2THRBMAPTALDH1A1TP53
SCHEMBL333931 0.87 MAPT (0.45) SMN1; SMN2THRBMAPTNPSR1ALDH1A1
SCHEMBL3016031 0.87 MAPT (0.45) SMN1; SMN2THRBMAPTNPSR1ALDH1A1
SCHEMBL333693 0.85 MAPT (0.43) KMT2AMEN1SMN1; SMN2THRBMAPT
SCHEMBL3012396 0.85 MAPT (0.43) SMN1; SMN2THRBMAPTNPSR1ALDH1A1
SCHEMBL3011590 0.84 MAPT (0.43) SMN1; SMN2THRBMAPTALDH1A1TP53
SCHEMBL4698938 0.83 MAPT (0.42) SMN1; SMN2THRBMAPTALDH1A1TP53
SCHEMBL3012983 0.83 MAPT (0.42) SMN1; SMN2THRBMAPTNPSR1ALDH1A1

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 KMT2A 3808/4885MEN1 2218/4885SMN1; SMN2 3984/4885

“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.