SCHEMBL4083947

SCHEMBL4083947

O=C(Nc1ccc(Cl)cc1)C(=O)c1c(Cl)n(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
PLA2G4A P47712 1/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
PPARG P37231 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43

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
SCHEMBL3006281 0.94 FAAH (0.49) FAAHPLA2G4AMAPTMEN1CYP3A4
SCHEMBL4383595 0.93 FAAH (0.61) FAAHPLA2G4AMAPTMEN1KMT2A
SCHEMBL2992693 0.92 FAAH (0.55) FAAHPLA2G4AMEN1KMT2ATUBB4A
SCHEMBL2994843 0.92 MEN1 (0.50) FAAHMAPTMEN1KMT2ATUBB4A
SCHEMBL4101935 0.92 FAAH (0.54) FAAHMAPTMEN1CYP3A4TSHR
SCHEMBL4099153 0.91 FAAH (0.51) FAAHMAPTMEN1CYP3A4ALOX15
SCHEMBL2994797 0.91 FAAH (0.63) FAAHPLA2G4AMAPTMEN1KMT2A
SCHEMBL3004050 0.89 CNR1 (0.46) FAAHPLA2G4AMAPTMEN1ALOX12
SCHEMBL2991095 0.88 FAAH (0.55) FAAHMAPTMEN1CYP3A4TSHR
SCHEMBL3006486 0.88 TUBB4A (0.53) FAAHMAPTMEN1CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
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

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 1/4885PLA2G4A 86/4885MAPT 2737/4885

“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.