SCHEMBL5735822

SCHEMBL5735822

CCCN(C)CCCCCCOc1ccc2c(ccn2-c2ccc(F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
PPARG P37231 2/20 0.39
LSS P48449 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ABCB1 P08183 1/20 0.38
LTA4H P09960 1/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL5735989 0.99 KCNH2 (0.44) KCNH2FGFR1SRCPPARGLSS
SCHEMBL5734035 0.96 KCNH2 (0.45) KCNH2FGFR1SRCPPARGKDM4E
SCHEMBL5737378 0.89 KCNH2 (0.44) KCNH2FGFR1SRCPPARGLSS
SCHEMBL5734759 0.89 KCNH2 (0.44) KCNH2FGFR1SRCPPARGKDM4E
SCHEMBL5738493 0.88 LSS (0.42) FGFR1SRCLSS
SCHEMBL5734082 0.88 KDM4E (0.51) KCNH2FGFR1SRCPPARGKDM4E
SCHEMBL5736501 0.87 LSS (0.56) LSS
SCHEMBL5734250 0.87 LSS (0.56) LSS
SCHEMBL5734616 0.86 KCNH2 (0.44) KCNH2FGFR1SRCPPARGABCB1
SCHEMBL5736063 0.86 KCNH2 (0.44) KCNH2FGFR1SRCPPARGPPARD

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 1400/4885FGFR1 2498/4885SRC 2257/4885

“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.