SCHEMBL5735249

SCHEMBL5735249

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.46
LSS P48449 2/20 0.41
SCN9A Q15858 1/20 0.36
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK14 Q16539 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LMNA P02545 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
SCHEMBL5735242 0.89 LSS (0.43) KCNH2LSSSCN9AEPHX2KDM4E
SCHEMBL5737999 0.81 KCNH2 (0.50) KCNH2SCN9AEPHX2KDM4EALDH1A1
SCHEMBL5736181 0.80 KCNH2 (0.46) KCNH2LSSSCN9AEPHX2KDM4E
SCHEMBL5737559 0.79 KCNH2 (0.46) KCNH2SCN9AEPHX2KDM4EALDH1A1
SCHEMBL5735408 0.79 LSS (0.43) LSSFFAR4
SCHEMBL5734346 0.79 LSS (0.54) LSSNPC1RAB9AFFAR4
SCHEMBL5736257 0.78 KCNH2 (0.49) KCNH2LSSEPHX2KDM4EALDH1A1
SCHEMBL5735616 0.75 HRH3 (0.45) KCNH2LSSSCN9AKDM4EALDH1A1
SCHEMBL5735274 0.75 KCNH2 (0.43) KCNH2SCN9AKDM4EALDH1A1GAA
SCHEMBL5735542 0.74 APP (0.42) KCNH2LSSSCN9AKDM4ESMN1; 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 8 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
CN-1245385-C indole and indoline derivatives HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
CN-1733723-A Indole and dihydroindole derivatives HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
CN-1476432-A indole and indoline derivatives - 2004-02-18 CN 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 1/4885SCN9A 4126/4885

“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.