SCHEMBL5735700

SCHEMBL5735700

OCCCCCc1ccc2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
EPHX2 P34913 1/20 0.40
OXER1 Q8TDS5 1/20 0.38
BCHE P06276 4/20 0.38
ACHE P22303 2/20 0.38
MGLL Q99685 2/20 0.37
PLA2G4A P47712 2/20 0.36
S1PR1 P21453 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
NAAA Q02083 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL5737044 0.95 KCNH2 (0.51) KCNH2EPHX2OXER1MGLLPLA2G4A
SCHEMBL5735274 0.84 KCNH2 (0.43) KCNH2OXER1BCHES1PR1ALDH1A1
SCHEMBL7083302 0.83 KCNH2 (0.56) KCNH2EPHX2MGLLPLA2G4AALDH1A1
SCHEMBL5736441 0.79 KCNH2 (0.44) KCNH2EPHX2OXER1MGLLS1PR1
SCHEMBL6956593 0.77 KCNH2 (0.56) KCNH2EPHX2MGLLALDH1A1HPGD
SCHEMBL3785456 0.77 KCNH2 (0.56) KCNH2EPHX2MGLLALDH1A1HPGD
SCHEMBL5735239 0.77 KCNH2 (0.43) KCNH2
SCHEMBL5736588 0.76 KCNH2 (0.46) KCNH2EPHX2MGLLALDH1A1HPGD
SCHEMBL5738184 0.75 THRA (0.39) KCNH2OXER1BCHEPLA2G4AS1PR1
SCHEMBL5734361 0.74 KCNH2 (0.44) KCNH2SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349833-B1 INDOLE AND DIHYDROINDOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-04-19 EP disclosed
EP-1349833-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-6503907-B2 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2003-01-07 US disclosed
US-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. HOFFMANN-LA ROCHE INC. 2002-08-01 US disclosed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 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-20020103247-A1 Indole derivatives or dihydroindole derivatives or salts are useful for the treatment of diseases associated with 2,3-oxidosqualene-lanosterol cyclase such as gallstone, tumorhypercholesterolemia, hyperlipemia, arterioscerosis etc. LSS, CYP51A1, DHCR7 KCNH2 1400/4885EPHX2 2227/4885OXER1 115/4885

“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.