SCHEMBL3227054

SCHEMBL3227054

Nc1ccc2[nH]c(=O)cc(Oc3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.49
PARP1 P09874 1/20 0.49
RHEB Q15382 3/20 0.44
NGFR P08138 1/20 0.42
XDH P47989 1/20 0.42
MAOB P27338 1/20 0.41
BRD4 O60885 3/20 0.41
MAOA P21397 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
CHEK2 O96017 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL13429012 0.89 XDH (0.44) ARPARP1RHEBXDHMAOA
SCHEMBL13429082 0.84 CYP1A2 (0.47) ARPARP1XDHMAOAHPGD
SCHEMBL2008835 0.83 HPGD (0.54) RHEBHPGDMAPK1HTTSMN1; SMN2
SCHEMBL3217241 0.82 MEN1 (0.60) RHEBMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL3227385 0.82 MAPT (0.48) RHEBHPGDMAPK1HTTSMN1; SMN2
SCHEMBL13429090 0.82 TNKS2 (0.50) RHEBXDHBRD4HPGDMAPK1
SCHEMBL3224936 0.81 MAOB (0.47) ARPARP1MAOBHPGDMAPK1
SCHEMBL13429118 0.80 HPGD (0.45) ARPARP1XDHMAOAHPGD
SCHEMBL1771739 0.78 AR (0.56) ARPARP1NGFRCA12CA9
SCHEMBL3217295 0.77 HPGD (0.46) PARP1MAOBBRD4MAOAHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010030967-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH LLC (US) 2010-03-18 WO 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
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 AR 1058/4885PARP1 1084/4885RHEB 86/4885

“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.