SCHEMBL9959541

SCHEMBL9959541

COc1ccc(Cn2c(C)c(C(=O)C(=O)Nc3ccnc(OC)c3)c3cc(C)ccc32)nc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.72
PLA2G2A P14555 4/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CHRNA7 P36544 2/20 0.38
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
HSD17B10 Q99714 1/20 0.36
AKR1B1 P15121 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL9951898 0.96 FAAH (0.65) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL9959494 0.94 FAAH (0.68) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL9959208 0.91 FAAH (0.71) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL9959493 0.91 FAAH (0.81) FAAHPLA2G2AMAPTHDAC6PTGDR2
SCHEMBL9959089 0.90 FAAH (0.63) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL9958758 0.89 FAAH (0.71) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL9958836 0.89 FAAH (0.57) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL9952229 0.88 FAAH (0.56) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL9952984 0.88 FAAH (0.60) FAAHPLA2G2AMEN1NPC1RAB9A
SCHEMBL9958535 0.87 FAAH (0.54) FAAHPLA2G2AMEN1NPC1RAB9A

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
CN-103502237-A FAAH inhibitors IRONWOOD PHARMACEUTICALS INC 2014-01-08 CN 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-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 63/4885MEN1 3882/4885

“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.