SCHEMBL4521719

SCHEMBL4521719

COc1ccc2ncc(Cl)c(OC[C@@H]3CC[C@@H](NC(=O)O)CO3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.40
MAPT P10636 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SLC2A1 P11166 1/20 0.39
KCNH2 Q12809 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
SCHEMBL4512730 0.82 KCNH2 (0.37) GRIN1KCNH2
SCHEMBL4793670 0.81 LMNA (0.36) MAPTTP53KCNH2
SCHEMBL4498911 0.79 HPGDS (0.41) HPGDSMAPTSLC2A1KCNH2
SCHEMBL5747690 0.72 KCNH2 (0.50) SLC2A1KCNH2
SCHEMBL2313077 0.70 LMNA (0.51) HPGDSMAPT
SCHEMBL5649717 0.69 LMNA (0.49) SLC2A1KCNH2
SCHEMBL5502549 0.68 MTNR1A (0.52)
SCHEMBL447794 0.67 MALT1 (0.41) MAPTKCNH2
SCHEMBL2313075 0.66 LMNA (0.56) MAPT
SCHEMBL5511974 0.66 JAK3 (0.40) MAPTSLC2A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity ASTRAZENECA AB (SE) 2009-05-21 US 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-20090131444-A1 Aminopiperidine Quinolines and Their Azaisosteric Analogues with Antibacterial Activity AAAS, AMPD2, AMPD3 HPGDS 370/4885MAPT 3324/4885GRIN1 4147/4885

“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.