SCHEMBL2006432

SCHEMBL2006432

O=C(O)c1cn(Cc2ccccc2)c2c(O)cccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
CHRM1 P11229 1/20 0.52
NOTUM Q6P988 1/20 0.50
FABP4 P15090 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
ADORA1 P30542 1/20 0.48
MAPK1 P28482 1/20 0.47
CNR2 P34972 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SERPINE1 P05121 1/20 0.46
CNR1 P21554 1/20 0.45

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
SCHEMBL1997691 0.80 ALDH1A1 (0.58) LMNA
SCHEMBL1606606 0.78 LMNA (0.80) LMNACHRM1L3MBTL1ADORA1MAPK1
SCHEMBL4665211 0.77 SLC22A6 (0.43) LMNACHRM1NOTUMFABP4L3MBTL1
SCHEMBL2000264 0.77 LMNA (0.59) LMNACHRM1L3MBTL1ADORA1MAPK1
SCHEMBL3234394 0.75 CHRM1 (0.86) LMNACHRM1CNR2NPSR1
SCHEMBL26581458 0.74 CNR1 (0.48) LMNACHRM1NOTUMFABP4L3MBTL1
SCHEMBL5215482 0.73 POLB (0.52) LMNACHRM1L3MBTL1ADORA1MAPK1
SCHEMBL1640352 0.73 LMNA (0.55) LMNANOTUM
SCHEMBL11405256 0.72 LMNA (0.51) LMNACHRM1CNR2
SCHEMBL2003091 0.72 PLA2G2A (0.64) LMNAL3MBTL1ADORA1MAPK1CNR2

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 19 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
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN 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
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN 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
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 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 (3 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 LMNA 3450/4885CHRM1 1340/4885NOTUM 2585/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 LMNA 4592/4885CHRM1 633/4885NOTUM 1364/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT LMNA 4536/4885CHRM1 3409/4885NOTUM 408/4885

“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.