SCHEMBL4093988

SCHEMBL4093988

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.36
MAPK1 P28482 1/20 0.36
FAAH O00519 3/20 0.36
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PMP22 Q01453 1/20 0.32
HIF1A Q16665 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
SCHEMBL4094085 0.95 L3MBTL1 (0.37) EPHX2MAPK1FAAHMAPTALDH1A1
SCHEMBL4091230 0.94 FAAH (0.43) EPHX2MAPK1FAAHMAPTALDH1A1
SCHEMBL4093763 0.93 LMNA (0.41) EPHX2MAPK1MAPTALDH1A1LMNA
SCHEMBL4094189 0.92 PLA2G2A (0.41) MAPK1FAAHMAPTALDH1A1LMNA
SCHEMBL4083416 0.91 F2RL3 (0.35) EPHX2MAPK1FAAHMAPTALDH1A1
SCHEMBL4384043 0.91 FAAH (0.41) EPHX2MAPK1FAAHMAPTALDH1A1
SCHEMBL4089089 0.89 NPC1 (0.41) EPHX2FAAHMAPTALDH1A1LMNA
SCHEMBL3001652 0.88 MAPK1 (0.38) EPHX2MAPK1FAAHMAPTALDH1A1
SCHEMBL3008471 0.88 TYK2 (0.42) EPHX2FAAHMAPTALDH1A1LMNA
SCHEMBL4088892 0.86 EPHX2 (0.40) EPHX2FAAHMAPTALDH1A1LMNA

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 2 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

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 EPHX2 254/4885MAPK1 2444/4885FAAH 1/4885

“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.