SCHEMBL4297832

SCHEMBL4297832

Clc1nc(C=Cc2ccccc2)nc2c1CCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.47
GRM5 P41594 1/20 0.40
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE5A O76074 1/20 0.33

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
SCHEMBL4297828 1.00 ACHE (0.47) ACHEGRM5TP53HTTALDH1A1
SCHEMBL3844482 0.75 ACHE (0.39) ACHE
SCHEMBL2933588 0.74 GRM5 (0.41) ACHEGRM5TP53HTTALDH1A1
SCHEMBL2933591 0.74 GRM5 (0.41) ACHEGRM5TP53HTTALDH1A1
SCHEMBL13424563 0.70 ACHE (0.44) ACHEALDH1A1CYP1A2MAPTKDM4E
SCHEMBL2712057 0.69 ACHE (0.44) ACHE
SCHEMBL15647372 0.69 ACHE (0.59) ACHEALDH1A1CYP1A2MAPTMAPK1
SCHEMBL29882543 0.68 MAPT (0.56) TP53ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL2819706 0.67 MAPT (0.36) TP53HTTALDH1A1CYP1A2MAPT
SCHEMBL2819708 0.67 MAPT (0.36) TP53HTTALDH1A1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ ACHE 3233/4885GRM5 4429/4885TP53 1940/4885

“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.