SCHEMBL2028216

SCHEMBL2028216

Cc1c(C(=O)c2ccc(Cl)cc2)c2cc(O)ccc2n1CC(=O)c1nnc(-c2ccccn2)o1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.42
GUSB P08236 1/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
ALDH1A1 P00352 2/20 0.40
FAAH O00519 6/20 0.39
CES1 P23141 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCEH1 Q6PIU2 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL2006294 0.91 CTSD (0.44) CTSDGUSBALDH1A1HTTKDM4E
SCHEMBL12570783 0.87 FAAH (0.43) CTSDGUSBFAAH
SCHEMBL2007226 0.83 PTGS2 (0.46) MAPTLMNAHTTRAB9AKDM4E
SCHEMBL2011921 0.80 LMNA (0.42) GAAMAPTPKMALDH1A1FAAH
SCHEMBL2004677 0.80 MAPT (0.41) GAAMAPTPKMALDH1A1FAAH
SCHEMBL2003928 0.80 PTGS2 (0.58) MAPTLMNARAB9AKDM4EMEN1
SCHEMBL12570773 0.79 FAAH (0.45) CTSDFAAHCES1
SCHEMBL2002690 0.79 FAAH (0.50) GAAMAPTPKMALDH1A1FAAH
SCHEMBL12570795 0.79 LMNA (0.44) CTSDGUSBGAAMAPTPKM
SCHEMBL2006942 0.79 PLA2G2A (0.50) MAPTPKMALDH1A1FAAHLMNA

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 CTSD 2651/4885GUSB 1615/4885GAA 4587/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT CTSD 924/4885GUSB 149/4885GAA 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.