SCHEMBL4094085

SCHEMBL4094085

O=C(Nc1ccncn1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
EPHX2 P34913 2/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
ALOX12 P18054 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
FAAH O00519 2/20 0.34
MAPK1 P28482 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
JAK2 O60674 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 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
SCHEMBL4384043 0.95 FAAH (0.41) L3MBTL1EPHX2PDE4APDE4BPDE4C
SCHEMBL4093988 0.95 EPHX2 (0.36) EPHX2ALDH1A1LMNAMAPTALOX12
SCHEMBL4091230 0.91 FAAH (0.43) EPHX2ALDH1A1LMNAMAPTFAAH
SCHEMBL4093763 0.90 LMNA (0.41) EPHX2ALDH1A1LMNAMAPTALOX12
SCHEMBL4090379 0.90 FAAH (0.42) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3004933 0.89 L3MBTL1 (0.41) L3MBTL1EPHX2ALDH1A1LMNAMAPT
SCHEMBL2994841 0.89 L3MBTL1 (0.39) L3MBTL1EPHX2PDE4APDE4BPDE4C
SCHEMBL4094189 0.89 PLA2G2A (0.41) ALDH1A1LMNAMAPTFAAHMAPK1
SCHEMBL4083416 0.88 F2RL3 (0.35) EPHX2ALDH1A1LMNAMAPTFAAH
SCHEMBL2998499 0.88 JAK2 (0.39) L3MBTL1EPHX2PDE4APDE4BPDE4C

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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN 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 L3MBTL1 2963/4885EPHX2 254/4885PDE4A 625/4885

“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.