SCHEMBL2003602

SCHEMBL2003602

[Li]c1nc2cnccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.38
FAAH O00519 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
SORD Q00796 1/20 0.35
HDAC11 Q96DB2 1/20 0.33
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PIK3CB P42338 2/20 0.32
ATM Q13315 1/20 0.32
PIK3CA P42336 1/20 0.32
TSHR P16473 2/20 0.31

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
SCHEMBL2008922 0.83 FAAH (0.36) FAAHHSD17B10MEN1ALDH1A1KMT2A
SCHEMBL30200573 0.75 L3MBTL1 (0.44) DAGLAFAAHHSD17B10MEN1ALDH1A1
SCHEMBL21583690 0.75 CYP1A2 (0.38) DAGLAFAAHHSD17B10MEN1ALDH1A1
SCHEMBL19380045 0.75 LMNA (0.48) DAGLAFAAHHSD17B10MEN1ALDH1A1
SCHEMBL19914312 0.75 DAGLA (0.38) DAGLAFAAHHSD17B10MEN1ALDH1A1
SCHEMBL4163580 0.75 L3MBTL1 (0.44) DAGLAFAAHHSD17B10MEN1ALDH1A1
SCHEMBL6217375 0.75 DAGLA (0.38) DAGLAFAAHHSD17B10MEN1ALDH1A1
SCHEMBL13472689 0.75 DAGLA (0.38) DAGLAFAAHHSD17B10MEN1ALDH1A1
Hydrochloric Acid SCHEMBL21581786 0.73 CYP1A2 (0.37) DAGLAFAAHHSD17B10MEN1ALDH1A1
Hydrochloric Acid SCHEMBL29657109 0.73 CYP1A2 (0.37) DAGLAFAAHHSD17B10MEN1ALDH1A1

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 9 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
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-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-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-1931632-A2 USEFUL INDOLE COMPOUNDS Microbia Inc. (US) 2008-06-18 EP 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 (4 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 DAGLA 2594/4885FAAH 109/4885HSD17B10 1370/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 DAGLA 3114/4885FAAH 71/4885HSD17B10 1609/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT DAGLA 141/4885FAAH 1/4885HSD17B10 548/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 DAGLA 395/4885FAAH 1/4885HSD17B10 871/4885

“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.