SCHEMBL2003987

SCHEMBL2003987

Cc1c(CC(=O)c2nnc(-c3ccccn3)o2)c2cc(O)ccc2n1Cc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.49
PTGS2 P35354 1/20 0.47
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 1/20 0.44
FAAH O00519 4/20 0.41
CES1 P23141 4/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PLA2G1B P04054 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41

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
SCHEMBL2008798 0.91 PTGS2 (0.60) PLA2G2APTGS2MAPTPKMALDH1A1
SCHEMBL2002519 0.87 FAAH (0.41) PLA2G2APTGS2FAAHCES1KDM4E
SCHEMBL12570779 0.87 PLA2G2A (0.49) PLA2G2APTGS2GAAMAPTPKM
SCHEMBL4390026 0.80 PLA2G2A (0.48) PLA2G2APTGS2GAAMAPTPKM
SCHEMBL2003928 0.79 PTGS2 (0.58) PTGS2MAPTKDM4ELMNA
SCHEMBL12570768 0.79 PTGS2 (0.59) PLA2G2APTGS2MAPTPKMALDH1A1
SCHEMBL2005137 0.78 PTGS2 (0.48) PLA2G2APTGS2FAAHCES1PLA2G1B
SCHEMBL3008203 0.78 HDAC6 (0.37) PLA2G2AGAAMAPTPKMALDH1A1
SCHEMBL2006756 0.77 PTGS2 (0.51) PLA2G2APTGS2ALDH1A1PLA2G1B
SCHEMBL4379570 0.76 FAAH (0.41) FAAHCES1

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 16 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
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
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-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-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
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 45/4885GAA 4587/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PLA2G2A 326/4885PTGS2 460/4885GAA 1769/4885

“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.