SCHEMBL4303084

SCHEMBL4303084

O=C(O)[C@H]1C[C@@H](O)CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HTR2C P28335 1/20 0.45
GAA P10253 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
S1PR5 Q9H228 2/20 0.43
GRIN2B Q13224 2/20 0.43
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43
S1PR1 P21453 1/20 0.43

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
SCHEMBL4303081 1.00 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4794200 1.00 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5787375 0.90 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1870162 0.90 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL206638 0.89 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL12553776 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL376726 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL382019 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL12553782 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL10239911 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-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 SMN1; SMN2 3874/4885NPC1 389/4885RAB9A 797/4885

“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.