SCHEMBL333954

SCHEMBL333954

CCOC(=O)Cc1c(C(=O)OCC)c2cc(Oc3ccc(C(=O)N(C)C)cn3)ccc2n1-c1ccc(N(CC)CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HPGD P15428 1/20 0.37
PTGS2 P35354 1/20 0.37
PDE4B Q07343 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL334022 0.81 MEN1 (0.44) MEN1KMT2ASMN1; SMN2THRBTP53
SCHEMBL333921 0.80 PTGS2 (0.50) MEN1KMT2ASMN1; SMN2THRBTP53
SCHEMBL334048 0.80 ALOX5 (0.44) MEN1KMT2ASMN1; SMN2THRBTP53
SCHEMBL333480 0.80 MEN1 (0.40) MEN1KMT2ASMN1; SMN2MAPTHRH3
SCHEMBL333584 0.79 PTGES (0.49) MEN1KMT2ASMN1; SMN2THRBTP53
SCHEMBL333747 0.79 MEN1 (0.43) MEN1KMT2ASMN1; SMN2THRBTP53
SCHEMBL333739 0.78 KMT2A (0.62) MEN1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL1407252 0.78 TP53 (0.42) MEN1KMT2ASMN1; SMN2THRBTP53
SCHEMBL333386 0.77 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL333605 0.77 SCN9A (0.45) MEN1KMT2ASMN1; SMN2THRBTP53

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 3 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-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 (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-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG MEN1 2066/4885KMT2A 3484/4885SMN1; 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.