SCHEMBL13456503

SCHEMBL13456503

CNCCCOc1ccc(C)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL4 Q8NA19 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47
HTR1B P28222 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH1 P35367 2/20 0.42
SLC6A4 P31645 2/20 0.42
KDM4E B2RXH2 2/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR1D P28221 1/20 0.39
PAICS P22234 1/20 0.38
KDM1A O60341 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38

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
SCHEMBL31144890 0.81 HTR1B (0.44) HTR1BTDP1HRH1SLC6A4KDM4E
SCHEMBL20381746 0.79 MAPT (0.44) ALDH1A1KDM4ECCR1CCR5CCR8
SCHEMBL14294338 0.79 DRD2 (0.46) HTR1BALDH1A1L3MBTL1KDM4EDRD2
SCHEMBL13428652 0.78 HTR1B (0.42) L3MBTL4L3MBTL3HTR1BALDH1A1TDP1
SCHEMBL21383973 0.78 NPC1 (0.45) ALDH1A1TDP1L3MBTL1KDM4EHSD17B10
SCHEMBL14182464 0.78 CYP3A4 (0.50) ALDH1A1KDM4ECCR1CCR5CCR8
SCHEMBL11929545 0.78 KDM4E (0.42) ALDH1A1KDM4EKDM1ACCR1CCR5
SCHEMBL20176634 0.78 NOS3 (0.42) HTR1BALDH1A1KDM4EKDM1ACCR1
SCHEMBL8282593 0.77 CCR1 (0.43) ALDH1A1TDP1KDM4EKDM1ACCR1
SCHEMBL13412644 0.76 CYP3A4 (0.52) ALDH1A1KDM4ECCR1CCR5CCR8

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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA L3MBTL4 2166/4885L3MBTL3 2132/4885HTR1B 2550/4885

“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.