SCHEMBL4390026

SCHEMBL4390026

Cc1c(CC(=O)c2nc3ncccc3o2)c2cc(O)ccc2n1Cc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.48
PTGS2 P35354 1/20 0.46
FAAH O00519 10/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 1/20 0.41
DAGLA Q9Y4D2 6/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3003472 0.90 PTGS2 (0.61) PLA2G2APTGS2MAPTPKMALDH1A1
SCHEMBL2006022 0.87 FAAH (0.41) FAAHDAGLA
SCHEMBL2003987 0.80 PLA2G2A (0.49) PLA2G2APTGS2FAAHGAAMAPT
SCHEMBL12570779 0.80 PLA2G2A (0.49) PLA2G2APTGS2FAAHGAAMAPT
SCHEMBL4379401 0.78 PTGS2 (0.59) PTGS2MAPTKDM4ELMNA
SCHEMBL2004608 0.77 PTGS2 (0.49) PLA2G2APTGS2FAAHDAGLA
SCHEMBL3000875 0.76 PTGS2 (0.74) PLA2G2APTGS2GAAMAPTPKM
SCHEMBL12628455 0.75 MAPT (0.34) PLA2G2APTGS2GAAMAPTLMNA
SCHEMBL2001596 0.73 PTGDR2 (0.41) PLA2G2APTGS2FAAHDAGLA
SCHEMBL27905714 0.73 PTGS2 (0.64) PLA2G2APTGS2GAAMAPTPKM

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 WO 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 PLA2G2A 3285/4885PTGS2 45/4885FAAH 109/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885PTGS2 460/4885FAAH 1/4885

“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.