SCHEMBL5577253

SCHEMBL5577253

COc1ccc(CN2CCCN(c3ncccc3CNC(=O)c3cccc(Cl)c3C)CC2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
EPHX2 P34913 4/20 0.43
PIK3CD O00329 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
BDKRB1 P46663 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
TMEM97 Q5BJF2 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
SCHEMBL5577621 0.97 LMNA (0.47) LMNAMAPTEPHX2KDM4EALDH1A1
SCHEMBL5577517 0.88 KDM4E (0.52) KDM4EALDH1A1ALOX15TSHRKMT2A
SCHEMBL5577599 0.88 P2RX7 (0.46) P2RX7LMNAMAPTEPHX2PIK3CD
SCHEMBL5577763 0.86 SCN2A (0.53) LMNAMAPTALDH1A1SCN2ASCN10A
SCHEMBL5577827 0.86 ALDH1A1 (0.42) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL5577522 0.86 LMNA (0.45) LMNAKDM4EALDH1A1ALOX15TSHR
SCHEMBL5577387 0.85 LMNA (0.43) LMNAMALT1TP53KMT2ADRD3
SCHEMBL5577419 0.85 LMNA (0.43) LMNAEPHX2KDM4EALDH1A1MALT1
SCHEMBL5577861 0.85 ALDH1A1 (0.49) LMNAMAPTKDM4EALDH1A1ALOX15
SCHEMBL5577752 0.84 MT-CO2 (0.47) EPHX2KDM4ETP53KMT2AMEN1

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 P2RX7 1272/4885LMNA 4819/4885MAPT 449/4885

“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.