SCHEMBL9953101

SCHEMBL9953101

COc1cc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cn3)c3ccc([N+](=O)[O-])cc23)ccn1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.66
PLA2G2A P14555 3/20 0.36
USP14 P54578 1/20 0.35
GNRHR P30968 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLA2G4A P47712 1/20 0.34
P2RX3 P56373 1/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 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
SCHEMBL9959310 0.91 FAAH (0.80) FAAHPLA2G2AMAPTMEN1KMT2A
SCHEMBL9959645 0.91 FAAH (0.74) FAAHPLA2G2AMAPTPLA2G4AP2RX3
SCHEMBL9959493 0.90 FAAH (0.81) FAAHPLA2G2AMAPTPLA2G4AP2RX3
SCHEMBL9958758 0.88 FAAH (0.71) FAAHPLA2G2ANPC1MAPTRAB9A
SCHEMBL9953576 0.88 FAAH (0.70) FAAHPLA2G2AMAPTPLA2G4AP2RX3
SCHEMBL10234781 0.87 FAAH (0.69) FAAHPLA2G2AMAPTPLA2G4AP2RX3
SCHEMBL9959093 0.87 FAAH (0.68) FAAHPLA2G2AMAPTSMN1; SMN2
SCHEMBL9953502 0.86 FAAH (0.65) FAAHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9953596 0.86 FAAH (0.65) FAAHNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9958621 0.86 FAAH (0.67) FAAHPLA2G2AMAPTPLA2G4AP2RX3

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 10 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
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 63/4885USP14 1035/4885

“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.