SCHEMBL2008922

SCHEMBL2008922

[Li]c1nc2ccncc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SORD Q00796 3/20 0.35
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
HPGD P15428 2/20 0.32
CYP2C19 P33261 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 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
SCHEMBL2003602 0.83 DAGLA (0.38) FAAHALDH1A1HSD17B10MEN1KMT2A
SCHEMBL30398598 0.75 L3MBTL1 (0.41) FAAHALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6213165 0.75 FAAH (0.36) FAAHALDH1A1HSD17B10MEN1KMT2A
SCHEMBL21583676 0.75 FAAH (0.36) FAAHALDH1A1HSD17B10MEN1KMT2A
SCHEMBL19914407 0.75 PIK3CG (0.48) FAAHALDH1A1HSD17B10MEN1KMT2A
SCHEMBL23475975 0.75 FAAH (0.36) FAAHALDH1A1HSD17B10MEN1KMT2A
SCHEMBL29758837 0.75 FAAH (0.36) FAAHALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8251280 0.75 L3MBTL1 (0.41) FAAHALDH1A1HSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL21581854 0.73 FAAH (0.35) FAAHALDH1A1HSD17B10MEN1KMT2A
SCHEMBL2012623 0.71 NPC1 (0.54) ALDH1A1HSD17B10MEN1KMT2AMAPT

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-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 (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 FAAH 109/4885ALDH1A1 1229/4885HSD17B10 1370/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 FAAH 71/4885ALDH1A1 1494/4885HSD17B10 1609/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT FAAH 1/4885ALDH1A1 178/4885HSD17B10 548/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 FAAH 1/4885ALDH1A1 648/4885HSD17B10 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.