SCHEMBL5577758

SCHEMBL5577758

COc1ccc(CN2CCN(c3ncc(CNC(=O)c4cccc(Cl)c4C)s3)CC2C)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HCRTR2 O43614 2/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KCNH2 Q12809 1/20 0.38
HCRTR1 O43613 1/20 0.38
PDE5A O76074 2/20 0.38
GALR3 O60755 1/20 0.38
NR2F2 P24468 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL5577386 0.88 ALDH1A1 (0.44) LMNAHPGDALDH1A1THRBTP53
SCHEMBL5577503 0.88 MT-CO2 (0.43) TP53MAPT
SCHEMBL5577418 0.86 GAA (0.45) ALDH1A1
SCHEMBL5577710 0.86 ALDH1A1 (0.40) LMNAHPGDALDH1A1THRBMAPT
SCHEMBL5577609 0.85 ALDH1A1 (0.46) LMNAHPGDALDH1A1THRBTP53
SCHEMBL5577636 0.85 LMNA (0.46) LMNAHPGDALDH1A1HCRTR2TP53
SCHEMBL5577614 0.84 LMNA (0.40) LMNAHPGDHCRTR2TP53MAPT
SCHEMBL5577915 0.84 LMNA (0.44) LMNAHPGDHCRTR2MAPTKCNH2
SCHEMBL5577988 0.84 LMNA (0.47) LMNAHPGDHCRTR2TP53MAPT
SCHEMBL5577387 0.83 LMNA (0.43) LMNAHPGDHCRTR2TP53KCNH2

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 855/4885ALDH1A1 1147/4885

“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.