SCHEMBL3312733

SCHEMBL3312733

CCN(CC)CCOc1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
RAB9A P51151 4/20 0.57
KDM4E B2RXH2 7/20 0.57
LMNA P02545 6/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 2/20 0.57
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL1651611 0.84 MAPT (0.60) MAPTRAB9AKDM4ELMNANPC1
SCHEMBL2484526 0.82 MAPT (0.66) MAPTRAB9AKDM4ELMNANPC1
SCHEMBL2484185 0.81 MAPT (0.68) MAPTRAB9AKDM4ELMNANPC1
SCHEMBL1100857 0.80 MAPT (0.62) MAPTRAB9AKDM4ELMNANPC1
SCHEMBL9568616 0.80 MAPT (0.66) MAPTRAB9AKDM4ELMNANPC1
SCHEMBL5807624 0.79 LMNA (0.69) MAPTRAB9AKDM4ELMNANPC1
SCHEMBL1101347 0.79 MAPT (0.68) MAPTRAB9AKDM4ELMNANPC1
SCHEMBL9632939 0.78 MCHR1 (0.67) MAPTRAB9AKDM4ELMNANPC1
SCHEMBL18691791 0.78 MCHR1 (0.67) MAPTRAB9AKDM4ELMNANPC1
SCHEMBL16114005 0.78 MCHR1 (0.67) MAPTRAB9AKDM4ELMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718621-B2 Macrolones—amino substituted quinolones GLAXO GROUP LTD. (GB) 2010-05-18 US disclosed
US-20090111760-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-30 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
US-20080090773-A1 Macrolones - Amino Substituted Quinolones GLAXO GROUP LIMITED (GB) 2008-04-17 US disclosed
EP-1824497-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
EP-1824870-A1 MACROLONES - AMINO SUBSTITUTED QUINOLONES GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
EP-1824869-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
WO-2006050942-A1 MACROLONES - AMINO SUBSTITUTED QUINOLONES GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
WO-2006050941-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
WO-2006050943-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
WO-2000009131-A1 DIAMINOPYRIMIDINES AND COMBINATION THERAPIES EFFECTIVE FOR TREATMENT OF P-GLYCOPROTEIN POSITIVE CANCERS WARNER-LAMBERT COMPANY (US) 2000-02-24 WO disclosed
US-4735943-A VASODILATORS SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1988-04-05 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 (4 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-20090111760-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 MAPT 3397/4885RAB9A 2580/4885KDM4E 3897/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 MAPT 3397/4885RAB9A 2580/4885KDM4E 3897/4885
US-20080090773-A1 Macrolones - Amino Substituted Quinolones MRPL21, Q6ZSR9, QARS1 MAPT 3434/4885RAB9A 696/4885KDM4E 2889/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 MAPT 3953/4885RAB9A 2463/4885KDM4E 4136/4885

“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.