SCHEMBL4100635

SCHEMBL4100635

O=C(Nc1ccccn1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2)c2ccc(O)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
S1PR3 Q99500 2/20 0.40
KCNMA1 Q12791 1/20 0.39
NPC1 O15118 1/20 0.39
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGER1 P34995 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL4090183 0.94 KMT2A (0.45) FAAHKMT2AMEN1MAPTPKM
SCHEMBL4089949 0.90 FAAH (0.54) FAAHKMT2AMEN1ALDH1A1MAPT
SCHEMBL3006976 0.90 FAAH (0.45) FAAHKMT2AMEN1ALDH1A1GAA
SCHEMBL4087908 0.90 KMT2A (0.47) FAAHKMT2AMEN1NPC1RAB9A
SCHEMBL3004933 0.90 L3MBTL1 (0.41) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL4090379 0.89 FAAH (0.42) FAAHKMT2AMEN1ALDH1A1GAA
SCHEMBL4095302 0.88 FAAH (0.48) FAAHKMT2AMEN1ALDH1A1MAPT
SCHEMBL2998261 0.88 KMT2A (0.47) FAAHKMT2AMEN1ALDH1A1GAA
SCHEMBL4088689 0.88 FAAH (0.44) FAAHKMT2A
SCHEMBL3004867 0.86 MEN1 (0.53) FAAHKMT2AMEN1ALDH1A1GAA

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 FAAH 1/4885KMT2A 2103/4885MEN1 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.