SCHEMBL5577674

SCHEMBL5577674

COc1ccc(CN2CCN(c3cc(CNC(=O)c4cccc(Cl)c4C)ccn3)C(C)C2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
HPGD P15428 2/20 0.44
APEX1 P27695 1/20 0.42
P2RX7 Q99572 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM3 P20309 1/20 0.41
GPR52 Q9Y2T5 5/20 0.40
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
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
MAPT P10636 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
SCHEMBL5577911 0.89 MT-CO2 (0.45) LMNAP2RX7KMT2ACHRM3GPR52
SCHEMBL5577568 0.88 LMNA (0.49) LMNAHPGDAPEX1MEN1KMT2A
SCHEMBL5577549 0.88 LMNA (0.48) LMNAHPGDAPEX1MEN1KMT2A
SCHEMBL5577512 0.88 LMNA (0.47) LMNAHPGDAPEX1MEN1KMT2A
SCHEMBL5577419 0.86 LMNA (0.43) LMNAHPGDMEN1KMT2AHCRTR1
SCHEMBL5577739 0.86 CXCR3 (0.51) LMNAALDH1A1MAPT
SCHEMBL5577915 0.85 LMNA (0.44) LMNAHPGDAPEX1P2RX7GPR52
SCHEMBL5577522 0.85 LMNA (0.45) LMNAHPGDAPEX1MEN1KMT2A
SCHEMBL5577655 0.84 S1PR1 (0.45) LMNAHPGDMEN1KMT2ACHRM3
SCHEMBL5715680 0.84 LMNA (0.45) LMNAHPGDAPEX1CHRM3HCRTR1

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.