SCHEMBL3407332

SCHEMBL3407332

COc1cccc(COc2ccc3nc(NC4CCc5ccccc54)ccc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.48
MAOB P27338 5/20 0.44
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGFR P00533 1/20 0.41
PFKFB3 Q16875 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MCHR1 Q99705 1/20 0.40
P2RX7 Q99572 2/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
APP P05067 1/20 0.39
MC4R P32245 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL3403238 1.00 HPGDS (0.48) HPGDSMAOBKDM1AMAOAMAPT
SCHEMBL1616738 0.85 EGFR (0.47) HPGDSMAOBKDM1AMAOAMAPT
SCHEMBL1616740 0.85 EGFR (0.47) HPGDSMAOBKDM1AMAOAMAPT
SCHEMBL3403513 0.84 CSF1R (0.47) HPGDSPFKFB3
SCHEMBL4106156 0.84 CSF1R (0.47) HPGDSPFKFB3
SCHEMBL3407214 0.84 PFKFB3 (0.42) HPGDSMAOBMAOAMAPTHTT
SCHEMBL3404447 0.78 MAPT (0.58) HPGDSMAPTHTTSMN1; SMN2NPC1
SCHEMBL3401633 0.75 HPGDS (0.51) HPGDSMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3402876 0.74 HPGDS (0.50) HPGDSMAPTHTTSMN1; SMN2EGFR
SCHEMBL3405721 0.74 NPC1 (0.47) HPGDSMAPTHTTSMN1; SMN2NPC1

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
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US claimed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP claimed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO claimed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US claimed
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 2010/4885MAOB 232/4885KDM1A 2178/4885

“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.