SCHEMBL9958778

SCHEMBL9958778

COc1ccc2c(c1)c(C(=O)C(=O)Nc1ccnc(OC)c1)c(C)n2Cc1ncccn1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.67
PLA2G2A P14555 8/20 0.49
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLA2G1B P04054 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL9959305 0.91 FAAH (0.64) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL2159717 0.90 FAAH (0.74) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL2159739 0.90 FAAH (0.79) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL2197934 0.89 FAAH (0.81) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL10234769 0.89 FAAH (0.74) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL2159916 0.88 FAAH (0.87) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL9959494 0.88 FAAH (0.68) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL9951898 0.88 FAAH (0.65) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL9956113 0.88 FAAH (0.61) FAAHPLA2G2AALDH1A1PKMMEN1
SCHEMBL9958752 0.87 FAAH (0.67) FAAHPLA2G2AALDH1A1PKMMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
WO-2014004676-A1 USE OF FAAH INHIBITORS AS NEUROPROTECTIVE AGENTS IN THE CNS IRONWOOD PHARMACEUTICALS, INC. (US) 2014-01-03 WO disclosed
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088431-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 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 (1 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-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 FAAH 1/4885PLA2G2A 63/4885ALDH1A1 314/4885

“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.