SCHEMBL3404563

SCHEMBL3404563

CCOC(=O)c1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.46
LMNA P02545 3/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
PFKFB3 Q16875 2/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL3401352 0.84 HPGDS (0.49) HPGDSALDH1A1KDM4ELMNAHPGD
SCHEMBL3404613 0.80 HRH3 (0.45) HPGDSALDH1A1LMNAMEN1KMT2A
SCHEMBL4106144 0.79 HPGDS (0.41) HPGDSLMNAPDE4APDE4BPDE4C
SCHEMBL3401119 0.78 TP53 (0.51) HPGDSMAPTLMNAHPGDMEN1
SCHEMBL3415257 0.78 HPGDS (0.46) HPGDSALDH1A1MAPTNPC1LMNA
SCHEMBL4109902 0.78 MAPT (0.44) HPGDSALDH1A1KDM4EMAPTNPC1
SCHEMBL3405690 0.78 HPGDS (0.41) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL3406044 0.77 TAOK1 (0.45) HPGDSALDH1A1MAPTLMNAHTT
SCHEMBL3411790 0.76 NPC1 (0.42) HPGDSALDH1A1MAPTNPC1LMNA
SCHEMBL31141716 0.76 ACACB (0.50) HPGDSALDH1A1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP disclosed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 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-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B HPGDS 2010/4885ALDH1A1 2403/4885KDM4E 1411/4885

“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.