SCHEMBL5736181

SCHEMBL5736181

CCN(CCO)C(C)(C)C#Cc1ccc2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
LSS P48449 1/20 0.43
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 6/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
NR3C1 P04150 1/20 0.33
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
TNIK Q9UKE5 2/20 0.32
LMNA P02545 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
SCHEMBL5736257 0.89 KCNH2 (0.49) KCNH2LSSEPHX2KDM4EALDH1A1
SCHEMBL5735249 0.80 KCNH2 (0.46) KCNH2LSSEPHX2KDM4EALDH1A1
SCHEMBL5735242 0.77 LSS (0.43) KCNH2LSSEPHX2KDM4EALDH1A1
SCHEMBL5737999 0.74 KCNH2 (0.50) KCNH2EPHX2KDM4EALDH1A1MAPT
SCHEMBL5736355 0.74 KCNH2 (0.51) KCNH2EPHX2NR3C1HPGDMGLL
SCHEMBL5737559 0.73 KCNH2 (0.46) KCNH2EPHX2KDM4EALDH1A1MAPT
SCHEMBL5734346 0.69 LSS (0.54) LSSFFAR4NPC1RAB9A
SCHEMBL6583376 0.68 KCNH2 (0.56) KCNH2EPHX2KDM4EFFAR4LMNA
SCHEMBL6961365 0.68 KCNH2 (0.56) KCNH2EPHX2KDM4EFFAR4LMNA
SCHEMBL5735616 0.67 HRH3 (0.45) KCNH2LSSKDM4EALDH1A1MAPT

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 10 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 claimed
EP-1349833-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP claimed
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 claimed
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 claimed
WO-2002044149-A1 INDOLE AND DIHYDROINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-06 WO claimed
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 1400/4885LSS 1/4885EPHX2 2227/4885

“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.