SCHEMBL986332

SCHEMBL986332

COc1ccc(N)cc1OCCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KDM4E B2RXH2 5/20 0.54
GAA P10253 4/20 0.54
HTT P42858 2/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 6/20 0.46
USP2 O75604 3/20 0.46
CYP19A1 P11511 2/20 0.46
ATM Q13315 2/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
NR4A1 P22736 1/20 0.45
DRD4 P21917 1/20 0.43
LMNA P02545 1/20 0.42
PRSS1 P07477 4/20 0.41

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
SCHEMBL5106305 0.93 MAPT (0.54) MAPTKDM4EGAAHTTMAPK1
SCHEMBL14931243 0.89 GAA (0.52) MAPTKDM4EGAAHTTMAPK1
SCHEMBL22502189 0.84 MAPT (0.66) MAPTKDM4EGAAHTTMAPK1
SCHEMBL5649965 0.84 KDM4E (0.56) MAPTKDM4EGAAHTTMAPK1
SCHEMBL2064577 0.82 GAA (0.54) MAPTKDM4EGAAHTTMAPK1
SCHEMBL4025990 0.82 TUBB1 (0.55) MAPTKDM4EGAAHTTMAPK1
SCHEMBL8250672 0.82 MAPT (0.54) MAPTKDM4EGAAHTTMAPK1
SCHEMBL5704645 0.82 GAA (0.59) MAPTKDM4EGAAHTTMAPK1
SCHEMBL14931191 0.81 GAA (0.52) MAPTKDM4EGAAHTTMAPK1
SCHEMBL22502366 0.81 GAA (0.57) MAPTKDM4EGAAHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
EP-2247294-A2 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION Basilea Pharmaceutica AG (CH) 2010-11-10 EP disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 WO disclosed
CN-101331129-A Dibenzonaphthyridine derivatives and methods of use thereof WYETH CORP (US) 2008-12-24 CN disclosed
EP-1963321-A2 DIBENZONAPHTHYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-7388016-B2 Dibenzonaphthyridine derivatives and methods of use thereof WYETH (US) 2008-06-17 US disclosed
WO-2007070319-A2 DIBENZONAPHTHYRIDINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2007-06-21 WO disclosed
US-20070135429-A1 Dibenzonaphthyridine derivatives and methods of use thereof WYETH (US) 2007-06-14 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 (2 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-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 MAPT 4802/4885KDM4E 4433/4885GAA 2575/4885
US-20070135429-A1 Dibenzonaphthyridine derivatives and methods of use thereof FANCD2, DDT, BRCA1 MAPT 3976/4885KDM4E 3409/4885GAA 733/4885

“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.