SCHEMBL5446408

SCHEMBL5446408

CC(Nc1ccnc2cc(Cl)ccc12)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.68
TAAR1 Q96RJ0 1/20 0.56
CYP1A2 P05177 2/20 0.54
TDP1 Q9NUW8 3/20 0.53
CYP2D6 P10635 2/20 0.53
CHRM2 P08172 2/20 0.53
CHRM4 P08173 2/20 0.53
CHRM5 P08912 2/20 0.53
ADRA2A P08913 2/20 0.53
CHRM1 P11229 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
CHRM3 P20309 2/20 0.53
KCNH2 Q12809 2/20 0.53
TMEM97 Q5BJF2 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
ACE2 Q9BYF1 2/20 0.53
CYP2C19 P33261 1/20 0.53
PRNP P04156 1/20 0.53
APP P05067 1/20 0.53

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
SCHEMBL29516922 0.80 PTPN1 (0.51) KDM4EKMT2AMEN1ADRA1D
SCHEMBL19951671 0.80 PTPN1 (0.51) KDM4EKMT2AMEN1ADRA1D
SCHEMBL19951672 0.80 PTPN1 (0.51) KDM4EKMT2AMEN1ADRA1D
SCHEMBL3398399 0.80 NR4A2 (0.76) NR4A2TAAR1CYP1A2TDP1CYP2D6
SCHEMBL7835018 0.80 NR4A2 (0.70) NR4A2TAAR1CYP1A2TDP1CYP2D6
SCHEMBL9588156 0.80 NR4A2 (0.70) NR4A2TAAR1CYP1A2TDP1CYP2D6
SCHEMBL902464 0.78 TAAR1 (0.69) NR4A2TAAR1CYP1A2TDP1CYP2D6
SCHEMBL7838139 0.78 NR4A2 (0.72) NR4A2TAAR1CYP1A2TDP1CYP2D6
SCHEMBL8540870 0.78 NR4A2 (0.72) NR4A2TAAR1CYP1A2TDP1CYP2D6
SCHEMBL3827818 0.78 NR4A2 (0.53) NR4A2TAAR1CYP1A2TDP1CYP2D6

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-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents PALUMED S.A. (FR) 2007-03-15 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-20070060558-A1 Hybrid molecules QA where Q is an aminoquinoline and A is an antibiotic residue, the synthesis and uses thereof as antibacterial agents QARS1, QPCT, QTRT2 NR4A2 3836/4885TAAR1 3628/4885CYP1A2 284/4885

“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.