SCHEMBL4507976

SCHEMBL4507976

N#Cc1ccc2cccc(NC(=O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CN3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.54
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4522945 1.00 KCNH2 (0.54) KCNH2KDM4EMEN1ALDH1A1GAA
SCHEMBL4502729 0.93 KCNH2 (0.52) KCNH2KDM4EMEN1ALDH1A1GAA
SCHEMBL4502207 0.82 KCNH2 (0.79) KCNH2
SCHEMBL4502213 0.82 KCNH2 (0.79) KCNH2
SCHEMBL4502215 0.82 KCNH2 (0.79) KCNH2
Hydrochloric Acid SCHEMBL4498090 0.81 KCNH2 (0.78) KCNH2
Hydrochloric Acid SCHEMBL4498088 0.81 KCNH2 (0.78) KCNH2
Hydrochloric Acid SCHEMBL4498093 0.81 KCNH2 (0.78) KCNH2
SCHEMBL4494398 0.81 KCNH2 (0.50) KCNH2KDM4EMEN1ALDH1A1GAA
SCHEMBL4501354 0.80 KCNH2 (0.43) KCNH2

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 3 patents. 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
EP-1891078-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006125974-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2006-11-30 WO 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 KCNH2 1951/4885KDM4E 552/4885MEN1 1987/4885

“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.