SCHEMBL6080871

SCHEMBL6080871

CNc1cccc2c(CCCNC(=O)OC(C)(C)C)cc(C(=O)O)nc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.44
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
SLC16A3 O15427 1/20 0.38
BRD4 O60885 2/20 0.38
CYP3A4 P08684 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
METAP2 P50579 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37

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
SCHEMBL6593524 0.88 NQO2 (0.48) NQO2CYP3A4ACACBACACACA1
SCHEMBL6596080 0.87 NQO2 (0.45) NQO2CYP3A4ACACBACACACA1
Hydrochloric Acid SCHEMBL6080350 0.86 NQO2 (0.44) NQO2CYP3A4ACACBACACACA1
SCHEMBL6597561 0.82 MTNR1A (0.43) NQO2CYP3A4L3MBTL1NPSR1
SCHEMBL6080040 0.80 NQO2 (0.47) NQO2BRD4CYP3A4CA1CA2
SCHEMBL6080612 0.79 NQO2 (0.44) NQO2BRD4CYP3A4CA1CA2
SCHEMBL6602769 0.77 NQO2 (0.43) NQO2BRD4CA1CA2KDM4E
SCHEMBL6080221 0.76 MTNR1A (0.44) NQO2L3MBTL1NPSR1
SCHEMBL23649248 0.73 NQO2 (0.65) NQO2
SCHEMBL6590869 0.72 NQO2 (0.40) NQO2BRD4CYP3A4CA1CA2

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL NQO2 2/4885PIM1 3960/4885PIM2 3870/4885

“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.