SCHEMBL4307231

SCHEMBL4307231

O=C(O)NC[C@H]1CNC[C@H]1O.O=Cc1cc2c(cn1)OCC(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.34
PKM P14618 2/20 0.34
PARP1 P09874 1/20 0.34
TP53 P04637 4/20 0.34
GAA P10253 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
NR3C2 P08235 1/20 0.33
MMP12 P39900 1/20 0.33
MGLL Q99685 1/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
USP30 Q70CQ3 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4297805 0.83 ALDH1A1 (0.44) ALDH1A1MAPTLMNAPKMPARP1
SCHEMBL4294463 0.82 KDM4E (0.32) KDM4E
SCHEMBL4298220 0.81 NR3C2 (0.35) NR3C2
SCHEMBL2797549 0.78 MMP12 (0.46) ALDH1A1MAPTLMNAPKMPARP1
SCHEMBL4307234 0.75
SCHEMBL4299087 0.74
SCHEMBL4303289 0.71 GPR183 (0.32) KDM4E
SCHEMBL4307714 0.71 SLC6A2 (0.32)
SCHEMBL4302995 0.71
SCHEMBL4294400 0.69

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-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

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 ALDH1A1 3885/4885MAPT 3830/4885LMNA 905/4885

“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.