SCHEMBL5577988

SCHEMBL5577988

COc1ccc(CN2CCN(c3cccc(CNC(=O)c4cccc(Cl)c4C)c3)CC2C)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
HPGD P15428 2/20 0.47
APEX1 P27695 1/20 0.44
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HCRTR2 O43614 1/20 0.42
RAB9A P51151 1/20 0.41
CHRM3 P20309 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
GALR3 O60755 1/20 0.41
NPC1 O15118 1/20 0.40
GFER P55789 1/20 0.40
MT-CO2 P00403 1/20 0.40
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40

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
SCHEMBL5577636 0.94 LMNA (0.46) LMNAHPGDAPEX1MAPTTP53
SCHEMBL5577915 0.88 LMNA (0.44) LMNAHPGDAPEX1MAPTHCRTR2
SCHEMBL5577630 0.88 MT-CO2 (0.48) LMNARAB9ACHRM3MT-CO2KLKB1
SCHEMBL5577774 0.87 LMNA (0.43) LMNAHPGDAPEX1TSHR
SCHEMBL5577602 0.86 SMN1; SMN2 (0.48) LMNAHPGDMAPTTP53SMN1; SMN2
SCHEMBL5577568 0.84 LMNA (0.49) LMNAHPGDAPEX1MAPTTP53
SCHEMBL5577387 0.84 LMNA (0.43) LMNAHPGDTP53HCRTR2
SCHEMBL5577637 0.84 TSHR (0.49) LMNAHPGDAPEX1MAPTTP53
SCHEMBL5577614 0.84 LMNA (0.40) LMNAHPGDAPEX1MAPTTP53
SCHEMBL5577758 0.84 LMNA (0.41) LMNAHPGDAPEX1MAPTTP53

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 4819/4885HPGD 855/4885APEX1 542/4885

“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.