SCHEMBL4083416

SCHEMBL4083416

CCOc1ccc2c(c1)c(C(=O)C(=O)Nc1ccncn1)c(C(F)(F)F)n2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.35
FAAH O00519 3/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 3/20 0.34
ALOX5AP P20292 2/20 0.34
PLA2G2A P14555 1/20 0.34
ALOX5 P09917 1/20 0.34
EPHX2 P34913 1/20 0.33
USP2 O75604 1/20 0.33
PPARG P37231 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4094189 0.93 PLA2G2A (0.41) FAAHMEN1KMT2ALMNAPLA2G2A
SCHEMBL4093988 0.91 EPHX2 (0.36) FAAHLMNAEPHX2MAPTMAPK1
SCHEMBL4088397 0.91 FAAH (0.43) FAAHALOX5APPLA2G2AALOX5MAPT
SCHEMBL3007424 0.90 NPC1 (0.38) F2RL3FAAHMEN1POLBKMT2A
SCHEMBL3005046 0.90 FAAH (0.41) F2RL3FAAHMEN1POLBKMT2A
SCHEMBL3003714 0.90 FAAH (0.37) FAAHMEN1POLBKMT2ASMN1; SMN2
SCHEMBL4091230 0.89 FAAH (0.43) FAAHSMN1; SMN2LMNAEPHX2PPARG
SCHEMBL4094085 0.88 L3MBTL1 (0.37) FAAHMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4380885 0.88 FAAH (0.45) FAAHMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4099175 0.88 ALOX5AP (0.38) F2RL3FAAHMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP 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

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-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 F2RL3 111/4885FAAH 1/4885MEN1 4573/4885

“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.