SCHEMBL5577387

SCHEMBL5577387

COc1ccc(CN2CCN(c3ncccc3CNC(=O)c3cccc(Cl)c3C)CC2C)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MALT1 Q9UDY8 2/20 0.41
TP53 P04637 2/20 0.41
HCRTR2 O43614 3/20 0.40
HPGD P15428 2/20 0.40
HCRTR1 O43613 2/20 0.40
CHRM4 P08173 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
PDE5A O76074 2/20 0.39
SMO Q99835 1/20 0.39
HTR1A P08908 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 1/20 0.39
RBP4 P02753 1/20 0.39
HSD11B1 P28845 1/20 0.39
MAPK8 P45983 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
SCHEMBL5577774 0.88 LMNA (0.43) LMNAHPGDS1PR1S1PR5DRD3
SCHEMBL5577589 0.88 MT-CO2 (0.43) TP53KMT2AHSD11B1MAPK8
SCHEMBL5577621 0.88 LMNA (0.47) LMNAMALT1TP53HCRTR2S1PR1
SCHEMBL5577557 0.87 SCN2A (0.46) CHRM4DRD3RBP4
SCHEMBL5577614 0.86 LMNA (0.40) LMNATP53HCRTR2HPGDHCRTR1
SCHEMBL5577915 0.86 LMNA (0.44) LMNAHCRTR2HPGDHCRTR1PDE5A
SCHEMBL5577636 0.86 LMNA (0.46) LMNATP53HCRTR2HPGD
SCHEMBL5577419 0.85 LMNA (0.43) LMNAMALT1TP53HCRTR2HPGD
SCHEMBL5577253 0.85 P2RX7 (0.44) LMNAMALT1TP53DRD3KMT2A
SCHEMBL5577988 0.84 LMNA (0.47) LMNATP53HCRTR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C LMNA 4819/4885MALT1 33/4885TP53 397/4885

“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.