SCHEMBL13429296

SCHEMBL13429296

O=c1cc(Oc2cccc(-c3ccc(NCCN4CCCC4)cc3)c2)c2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
BACE1 P56817 1/20 0.40
DRD2 P14416 5/20 0.39
DRD3 P35462 4/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RAD52 P43351 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
PARP1 P09874 1/20 0.37
DRD1 P21728 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
SCHEMBL3224822 0.93 DRD2 (0.42) TLR9TLR8TLR7DRD2DRD3
SCHEMBL3202232 0.84 MEN1 (0.43) MEN1GAAKMT2AKDM4E
SCHEMBL13429326 0.83 DRD2 (0.48) TLR9TLR8TLR7DRD2MEN1
SCHEMBL13429299 0.82 MEN1 (0.43) TLR9TLR8TLR7MEN1GAA
SCHEMBL7933316 0.81 CNR1 (0.47) TLR9TLR8TLR7KMT2AMCHR1
SCHEMBL13429032 0.80 KDR (0.48) GAAKMT2AKDM4ELMNAPARP1
SCHEMBL13429351 0.78 FGFR1 (0.42)
SCHEMBL13429161 0.78 HPGD (0.54) MEN1KMT2AKDM4ELMNA
SCHEMBL3216819 0.78 FLT3 (0.44) TLR9TLR8TLR7KDM4EHTR2A
SCHEMBL13429248 0.77 EPHX1 (0.45) MEN1GAAKMT2A

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 LTA4H 4301/4885TLR9 1426/4885TLR8 3578/4885

“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.