SCHEMBL3540659

SCHEMBL3540659

O=C1O[C@H](CN2CCC[C@H](O)C2)CN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.37
F10 P00742 4/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35
LMNA P02545 1/20 0.34
DDR1 Q08345 1/20 0.33
ENPP2 Q13822 1/20 0.33
GRM2 Q14416 1/20 0.33
NPY5R Q15761 1/20 0.32

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
SCHEMBL3543856 1.00 SIGMAR1 (0.37) SIGMAR1F10KDM4EALDH1A1POLB
SCHEMBL3540662 1.00 SIGMAR1 (0.37) SIGMAR1F10KDM4EALDH1A1POLB
SCHEMBL3543852 1.00 SIGMAR1 (0.37) SIGMAR1F10KDM4EALDH1A1POLB
SCHEMBL3540656 1.00 SIGMAR1 (0.37) SIGMAR1F10KDM4EALDH1A1POLB
SCHEMBL13118371 0.91 SIGMAR1 (0.40) SIGMAR1F10PIK3C3ENPP2GRM2
SCHEMBL3538978 0.91 SIGMAR1 (0.40) SIGMAR1F10PIK3C3ENPP2GRM2
SCHEMBL3543048 0.90 SIGMAR1 (0.40) SIGMAR1F10PIK3C3ENPP2GRM2
SCHEMBL3543053 0.90 SIGMAR1 (0.40) SIGMAR1F10PIK3C3ENPP2GRM2
SCHEMBL3543054 0.90 SIGMAR1 (0.40) SIGMAR1F10PIK3C3ENPP2GRM2
SCHEMBL3544039 0.87 SIGMAR1 (0.39) SIGMAR1PIK3C3ENPP2

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
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP claimed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US claimed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US claimed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP claimed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP 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-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 SIGMAR1 1481/4885F10 2411/4885KDM4E 3057/4885

“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.