SCHEMBL2004486

SCHEMBL2004486

O=C(O)c1cc2c(NCCCCc3ccccc3)cccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.51
KDM4E B2RXH2 4/20 0.48
ASPH Q12797 2/20 0.48
RIOX2 Q8IUF8 2/20 0.48
KDM8 Q8N371 2/20 0.48
EGLN1 Q9GZT9 1/20 0.48
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
KDM6B O15054 2/20 0.47
KDM4C Q9H3R0 2/20 0.47
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GLA P06280 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
SCHEMBL2007886 0.96 SRD5A2 (0.52) SRD5A2KDM4EASPHRIOX2KDM8
SCHEMBL2000623 0.91 SRD5A2 (0.54) SRD5A2KDM4EASPHRIOX2KDM8
SCHEMBL2004241 0.83 SRD5A2 (0.56) SRD5A2KDM4EASPHRIOX2KDM8
SCHEMBL2008852 0.81 SRD5A2 (0.56) SRD5A2KDM4ENPC1POLBRAB9A
SCHEMBL2004308 0.78 SRD5A2 (0.56) SRD5A2KDM4ENPC1POLBRAB9A
SCHEMBL2005930 0.77 SRD5A2 (0.73) SRD5A2KDM4ENPC1POLBRAB9A
SCHEMBL2001391 0.76 SRD5A2 (0.51) SRD5A2KDM4ENPC1POLBRAB9A
SCHEMBL2007950 0.75 SRD5A2 (0.74) SRD5A2KDM4ENPC1POLBRAB9A
SCHEMBL2008256 0.75 SRD5A2 (0.59) SRD5A2KDM4ENPC1POLBRAB9A
SCHEMBL2004155 0.74 SRD5A2 (0.52) SRD5A2KDM4ENPC1POLBRAB9A

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 15 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-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 SRD5A2 1424/4885KDM4E 2243/4885ASPH 1655/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT SRD5A2 1420/4885KDM4E 2232/4885ASPH 156/4885

“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.