SCHEMBL3129489

SCHEMBL3129489

O=C(O)C(Cl)=C1CCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
ADORA1 P30542 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ATM Q13315 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
PNMT P11086 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL3129485 1.00 SIGMAR1 (0.47) SIGMAR1ADORA1ALDH1A1KDM4EKMT2A
SCHEMBL1778295 0.83 ALDH1A1 (0.49) SIGMAR1ADORA1ALDH1A1KDM4EKMT2A
SCHEMBL1778293 0.83 ALDH1A1 (0.49) SIGMAR1ADORA1ALDH1A1KDM4EKMT2A
SCHEMBL13315674 0.82 MEN1 (0.63) ADORA1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL13315676 0.79 SIGMAR1 (0.48) SIGMAR1ADORA1KMT2AMEN1SLC6A5
SCHEMBL29512666 0.79 SIGMAR1 (0.52) SIGMAR1ADORA1KDM4EKMT2AMEN1
SCHEMBL6735770 0.76 KMT2A (0.53) SIGMAR1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL28817642 0.76 SIGMAR1 (0.48) SIGMAR1ADORA1KMT2AMEN1SLC6A5
SCHEMBL28817654 0.76 SIGMAR1 (0.48) SIGMAR1ADORA1KMT2AMEN1SLC6A5
SCHEMBL13355700 0.75 SIGMAR1 (0.47) SIGMAR1KMT2AMEN1SLC6A5PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861401-B1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2015-11-18 EP disclosed
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
EP-1675852-B1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-02-18 EP disclosed
EP-1861401-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-05 EP disclosed
US-7179805-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US disclosed
WO-2006101603-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-28 WO disclosed
EP-1675852-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES Janssen Pharmaceutica N.V. (BE) 2006-07-05 EP disclosed
US-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-09 US disclosed
US-20050101588-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones GRANT EUGENE B III (US) 2005-05-12 US disclosed
WO-2005033108-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA, N.V. (BE) 2005-04-14 WO 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 (3 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-20060052359-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones NQO2, NQO1, REN SIGMAR1 381/4885ADORA1 118/4885ALDH1A1 1340/4885
US-20050101588-A1 7-Amino alkylidenyl-heterocyclic quinolones and naphthyridones NQO2, NQO1, REN SIGMAR1 381/4885ADORA1 118/4885ALDH1A1 1340/4885
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 SIGMAR1 358/4885ADORA1 128/4885ALDH1A1 1307/4885

“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.