SCHEMBL13428652

SCHEMBL13428652

CNCCCOc1ccc(C(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.42
ATM Q13315 1/20 0.42
HRH1 P35367 3/20 0.40
SLC6A4 P31645 2/20 0.40
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
ACACB O00763 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NSD2 O96028 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PAICS P22234 1/20 0.36
HTR1D P28221 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MCHR1 Q99705 1/20 0.35
HTR2A P28223 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35

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
SCHEMBL10141615 0.81 ACACB (0.42) ACACBSMN1; SMN2
SCHEMBL14269836 0.81 HTR1B (0.42) HTR1BACACBMCHR1
SCHEMBL23468024 0.80 ACACB (0.39) ACACBALDH1A1SMN1; SMN2LMNA
SCHEMBL10141613 0.80 ACACB (0.49) ACACB
SCHEMBL19398567 0.78 APP (0.40) ACACBSMN1; SMN2LMNA
SCHEMBL20216138 0.78 PIK3CD (0.40) ACACBALDH1A1SMN1; SMN2
SCHEMBL16996967 0.78 GABRP (0.44) ACACBSMN1; SMN2TDP1MCHR1
SCHEMBL11994451 0.78 ACACB (0.42) ACACB
SCHEMBL13456503 0.78 L3MBTL4 (0.47) HTR1BHRH1SLC6A4CHRNB2CHRNA4
SCHEMBL14269839 0.77 TLR9 (0.43) ATMKDM4EALDH1A1SMN1; SMN2LMNA

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-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
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 HTR1B 2550/4885ATM 307/4885HRH1 2037/4885

“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.