SCHEMBL5735664

SCHEMBL5735664

Fc1ccc(-n2ccc3cc(Br)c(F)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
EPHX2 P34913 1/20 0.36
MGLL Q99685 3/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 1/20 0.35
BIRC5 O15392 1/20 0.34
CDC7 O00311 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL5736938 0.87 BIRC5 (0.50) KCNH2ALDH1A1NPC1RAB9ABIRC5
SCHEMBL4296315 0.78 KCNH2 (0.60) KCNH2EPHX2MGLLALDH1A1KDM4E
SCHEMBL2610321 0.75 KCNH2 (0.47) KCNH2EPHX2MGLLALDH1A1KDM4E
SCHEMBL31668339 0.73 HDAC3 (0.49) EPHX2ALDH1A1MAPTSMN1; SMN2HDAC3
SCHEMBL5734752 0.72 KCNH2 (0.41) KCNH2EPHX2ALDH1A1KDM4EHPGD
SCHEMBL16364568 0.72 PRKCI (0.44) MAPT
SCHEMBL23883491 0.71 KCNH2 (0.42) KCNH2ALDH1A1KDM4EHPGDMAPT
SCHEMBL22204996 0.71 KCNH2 (0.60) KCNH2EPHX2MGLLALDH1A1KDM4E
SCHEMBL9463558 0.71 KCNH2 (0.65) KCNH2EPHX2MGLLALDH1A1KDM4E
SCHEMBL4572982 0.71 KCNH2 (0.60) KCNH2EPHX2MGLLALDH1A1MAPT

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 1400/4885EPHX2 2227/4885MGLL 300/4885

“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.