SCHEMBL7530571

SCHEMBL7530571

CCCC(N)(O)CCCCOc1cc2ccn(-c3ccc(F)cc3)c2cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
PPARD Q03181 1/20 0.32
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
MET P08581 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 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
SCHEMBL5734752 0.78 KCNH2 (0.41) KCNH2KDM4EALDH1A1MAPTHPGD
SCHEMBL5734585 0.76 KCNH2 (0.37) KCNH2KDM4EALDH1A1MAPTHPGD
SCHEMBL5734963 0.76 KCNH2 (0.38) KCNH2KDM4EALDH1A1MAPTHPGD
SCHEMBL5735038 0.72 LSS (0.46) KCNH2
SCHEMBL5736960 0.71 KCNH2 (0.43) KCNH2KDM4EALDH1A1MAPTHPGD
SCHEMBL5736008 0.70 BIRC5 (0.40) KCNH2
SCHEMBL5734684 0.69 SIGMAR1 (0.36) KCNH2
SCHEMBL5734648 0.68 FFAR4 (0.36) ALDH1A1HPGDNPC1TSHRRAB9A
SCHEMBL2737102 0.66 MAPK1 (0.47) ALDH1A1HPGDRAB9AMAPK1CYP1A2
SCHEMBL5736897 0.66 KCNH2 (0.46) KCNH2PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1400/4885KDM4E 4187/4885ALDH1A1 1510/4885

“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.