SCHEMBL4090425

SCHEMBL4090425

O=C(Nc1ccc(Cl)cc1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
PLA2G4A P47712 1/20 0.40
EPHX2 P34913 1/20 0.40
FAAH O00519 1/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL3001593 0.94 L3MBTL1 (0.41) CNR1PLA2G4AEPHX2FAAHMAPT
SCHEMBL3002042 0.94 PLA2G4A (0.43) PLA2G4AEPHX2MAPTLMNAALDH1A1
SCHEMBL3005953 0.93 FAAH (0.48) CNR1PLA2G4AEPHX2FAAHMAPT
SCHEMBL3008471 0.92 TYK2 (0.42) PLA2G4AEPHX2FAAHMAPTLMNA
SCHEMBL3001761 0.92 LMNA (0.46) CNR1EPHX2MAPTLMNAALDH1A1
SCHEMBL2996462 0.92 KCNH2 (0.45) PLA2G4AFAAHMAPTSMN1; SMN2USP2
SCHEMBL3006717 0.91 THRB (0.42) PLA2G4AEPHX2FAAHMAPTLMNA
SCHEMBL3008225 0.91 PLA2G2A (0.45) FAAHMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL3007524 0.90 FAAH (0.48) PLA2G4AFAAHMAPTALOX12MEN1
SCHEMBL3010861 0.90 MEN1 (0.44) FAAHMAPTLMNAALDH1A1SMN1; SMN2

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 CNR1 6/4885PLA2G4A 86/4885EPHX2 254/4885

“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.