SCHEMBL3012983

SCHEMBL3012983

CCOC(=O)c1c([S+](C)[O-])c2cc(Br)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
THRB P10828 2/20 0.40
ELANE P08246 4/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
TP53 P04637 6/20 0.37
ALDH1A1 P00352 1/20 0.37
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 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
SCHEMBL3007173 0.86 MAPT (0.46) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL335076 0.85 SMN1; SMN2 (0.50) MAPTATMSMN1; SMN2THRBPOLB
SCHEMBL333931 0.84 MAPT (0.45) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL3016031 0.84 MAPT (0.45) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL3571150 0.84 MAPT (0.45) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL3009481 0.83 KMT2A (0.50) MAPTATMSMN1; SMN2THRBPOLB
SCHEMBL4698938 0.83 MAPT (0.42) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL333693 0.83 MAPT (0.43) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL3012396 0.83 MAPT (0.43) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL3011590 0.82 MAPT (0.43) MAPTATMSMN1; SMN2THRBELANE

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 MAPT 68/4885ATM 2080/4885SMN1; 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.