SCHEMBL1997691

SCHEMBL1997691

O=C(O)Cc1cn(Cc2ccccc2)c2c(O)cccc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
AKR1B1 P15121 1/20 0.47
PLA2G2A P14555 3/20 0.47
HRH1 P35367 1/20 0.47
CDC25A P30304 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ABCB1 P08183 2/20 0.43
P2RX7 Q99572 1/20 0.42
ICMT O60725 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCL1 Q07820 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
SCHEMBL2006257 0.92 ALDH1A1 (0.50) ALDH1A1LMNAAKR1B1PLA2G2AHRH1
SCHEMBL2004279 0.90 LMNA (0.54) ALDH1A1LMNAAKR1B1PLA2G2AHRH1
SCHEMBL2008295 0.89 AKR1B1 (0.56) ALDH1A1LMNAAKR1B1CDC25APOLB
SCHEMBL2006432 0.80 LMNA (0.56) LMNA
SCHEMBL2051630 0.80 ALDH1A1 (0.80) ALDH1A1LMNAPLA2G2ACDC25AUSP2
SCHEMBL2003339 0.79 LMNA (0.48) ALDH1A1LMNAPLA2G2APPARGPPARD
SCHEMBL2006388 0.79 AKR1B1 (0.50) ALDH1A1LMNAAKR1B1CDC25ATDP1
SCHEMBL2005309 0.78 ALDH1A1 (0.58) ALDH1A1LMNAAKR1B1PLA2G2AUSP2
SCHEMBL2002819 0.77 LMNA (0.52) ALDH1A1LMNAPLA2G2APPARGPPARD
SCHEMBL4665211 0.75 SLC22A6 (0.43) ALDH1A1LMNAHRH1POLB

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 20 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
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 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
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 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 (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 ALDH1A1 1229/4885LMNA 3450/4885AKR1B1 1157/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 ALDH1A1 1494/4885LMNA 4592/4885AKR1B1 1466/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT ALDH1A1 178/4885LMNA 4536/4885AKR1B1 696/4885

“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.