SCHEMBL5737359

SCHEMBL5737359

OCCCC#Cc1cc2ccn(-c3ccc(F)cc3)c2cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
MAPK14 Q16539 1/20 0.35
EPHX2 P34913 1/20 0.33
TTBK1 Q5TCY1 1/20 0.33
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 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
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP3A4 P08684 2/20 0.32
MGLL Q99685 1/20 0.31
PGK1 P00558 1/20 0.31

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
SCHEMBL5735029 0.86 KCNH2 (0.35) KCNH2TTBK1ALDH1A1KDM4EMAPT
SCHEMBL5737559 0.82 KCNH2 (0.46) KCNH2MAPK14EPHX2ALDH1A1KDM4E
SCHEMBL5733991 0.81 KCNH2 (0.37) KCNH2ALDH1A1KDM4EMAPTHPGD
SCHEMBL5734656 0.79 KCNH2 (0.35) KCNH2
SCHEMBL5734945 0.70 FFAR4 (0.35) KCNH2MGLLFFAR4
SCHEMBL5737291 0.70 FFAR4 (0.35) KCNH2MGLLFFAR4
SCHEMBL9766914 0.70 KDM4E (0.42) MAPK14ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL5737044 0.69 KCNH2 (0.51) KCNH2EPHX2ALDH1A1KDM4EMAPT
SCHEMBL5735242 0.69 LSS (0.43) KCNH2EPHX2ALDH1A1KDM4EMAPT
SCHEMBL5737999 0.69 KCNH2 (0.50) KCNH2MAPK14EPHX2ALDH1A1KDM4E

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 1400/4885MAPK14 1084/4885EPHX2 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.