SCHEMBL5577549

SCHEMBL5577549

COc1ccc(CN2CCN(c3ccc(CNC(=O)c4cccc(Cl)c4C)cc3)C(C)C2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
APEX1 P27695 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD2 P14416 5/20 0.41
DRD4 P21917 5/20 0.41
DRD3 P35462 5/20 0.41
CCR3 P51677 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41

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
SCHEMBL5577568 0.94 LMNA (0.49) LMNAHPGDAPEX1KMT2AMEN1
SCHEMBL5577655 0.88 S1PR1 (0.45) LMNAHPGDKMT2AMEN1ALDH1A1
SCHEMBL5577674 0.88 LMNA (0.44) LMNAHPGDAPEX1KMT2AMEN1
SCHEMBL5577919 0.87 MT-CO2 (0.52) LMNAKMT2AMEN1
SCHEMBL5577419 0.86 LMNA (0.43) LMNAHPGDKMT2AMEN1ALDH1A1
SCHEMBL5577710 0.85 ALDH1A1 (0.40) LMNAHPGDKMT2AMEN1ALDH1A1
SCHEMBL5577384 0.85 ALDH1A1 (0.41) LMNAHPGDAPEX1KMT2AMEN1
SCHEMBL5577486 0.84 DRD2 (0.47) LMNAHPGDAPEX1ALDH1A1POLB
SCHEMBL5577629 0.84 ALDH1A1 (0.53) LMNAALDH1A1POLBGAACCR3
SCHEMBL5577636 0.84 LMNA (0.46) LMNAHPGDAPEX1ALDH1A1SMN1; SMN2

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.