SCHEMBL333693

SCHEMBL333693

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
THRB P10828 2/20 0.41
ELANE P08246 4/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 4/20 0.38
PTGES O14684 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL3007173 0.88 MAPT (0.46) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL335076 0.87 SMN1; SMN2 (0.50) MAPTATMSMN1; SMN2THRBALDH1A1
SCHEMBL333931 0.86 MAPT (0.45) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL3016031 0.86 MAPT (0.45) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL3571150 0.86 MAPT (0.45) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL3011590 0.85 MAPT (0.43) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL3009481 0.85 KMT2A (0.50) MAPTATMSMN1; SMN2THRBALDH1A1
SCHEMBL3012396 0.84 MAPT (0.43) MAPTATMSMN1; SMN2THRBELANE
SCHEMBL334136 0.83 PTGES (0.53) MAPTSMN1; SMN2THRBPOLBTP53
SCHEMBL4698938 0.83 MAPT (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097623-B2 1-Aryl-or heteroaryl-3-aryl-or heteroarylindole-2-carboxylic acids or esters: e.g., 5-(4-tert-Butylphenyl)-1,3-bis(4-isopropoxyphenyl)-indole-2-carboxylic acid; inhibition of the activity of microsomal prostaglandin E synthase-1, leukotriene C4 and/or 5-lipoxygenase-activating protein; analgesics BIOLIPOX AB (SE) 2012-01-17 US disclosed
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed
US-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 US disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 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 (2 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
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG MAPT 49/4885ATM 2362/4885SMN1; SMN2 3963/4885

“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.