SCHEMBL1428528

SCHEMBL1428528

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=C1Oc2cc(O)ccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
PIK3CA P42336 3/20 0.52
MTOR P42345 3/20 0.52
PIK3CG P48736 2/20 0.52
TYR P14679 3/20 0.50
MAOA P21397 4/20 0.46
MAOB P27338 3/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CISD1 Q9NZ45 2/20 0.43
KIT P10721 1/20 0.43
PTGS2 P35354 1/20 0.43
ELANE P08246 1/20 0.43
RECQL P46063 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PSMD14 O00487 1/20 0.43
AURKA O14965 1/20 0.43

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
SCHEMBL4328111 1.00 MEN1 (0.61) MEN1KMT2APIK3CAMTORPIK3CG
SCHEMBL1428586 0.87 MAOB (0.48) MEN1KMT2APIK3CAMTORPIK3CG
SCHEMBL4318830 0.87 MAOB (0.48) MEN1KMT2APIK3CAMTORPIK3CG
SCHEMBL1428748 0.85 PIK3CA (0.72) PIK3CAMTORPIK3CGTYRMAOA
SCHEMBL4315861 0.85 PIK3CA (0.72) PIK3CAMTORPIK3CGTYRMAOA
SCHEMBL14735159 0.82 PIK3CA (0.71) MEN1KMT2APIK3CAMTORPIK3CG
SCHEMBL14735156 0.82 PIK3CA (0.71) MEN1KMT2APIK3CAMTORPIK3CG
SCHEMBL14735209 0.80 MEN1 (0.63) MEN1KMT2APIK3CAMTORPIK3CG
SCHEMBL14735211 0.80 MEN1 (0.63) MEN1KMT2APIK3CAMTORPIK3CG
SCHEMBL1428515 0.76 TYR (0.46) MEN1KMT2APIK3CAMTORPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP claimed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO claimed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US claimed
EP-2300460-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2011-03-30 EP disclosed
WO-2009155042-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 MEN1 827/4885KMT2A 1721/4885PIK3CA 4/4885

“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.