SCHEMBL1428586

SCHEMBL1428586

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=C1Oc2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
PIK3CA P42336 3/20 0.48
MTOR P42345 3/20 0.48
PIK3CG P48736 2/20 0.46
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
PARP1 P09874 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
STK17B O94768 1/20 0.41
GSK3B P49841 3/20 0.41
CDK5 Q00535 3/20 0.41
CDK5R1 Q15078 3/20 0.41
GSK3A P49840 2/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
HTR2A P28223 1/20 0.41
HTR6 P50406 1/20 0.41
CCNB2 O95067 2/20 0.40

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
SCHEMBL4318830 1.00 MAOB (0.48) MAOBMAOAPIK3CAMTORPIK3CG
SCHEMBL4328111 0.87 MEN1 (0.61) MAOBMAOAPIK3CAMTORPIK3CG
SCHEMBL1428528 0.87 MEN1 (0.61) MAOBMAOAPIK3CAMTORPIK3CG
SCHEMBL4321537 0.82 TYR (0.46) PIK3CAMTORPIK3CGCTSVCTSL
SCHEMBL1428515 0.82 TYR (0.46) PIK3CAMTORPIK3CGCTSVCTSL
SCHEMBL1428168 0.82 PIK3CA (0.63) MAOBMAOAPIK3CAMTORPIK3CG
SCHEMBL4322482 0.82 PIK3CA (0.63) MAOBMAOAPIK3CAMTORPIK3CG
SCHEMBL1428748 0.80 PIK3CA (0.72) MAOBMAOAPIK3CAMTORPIK3CG
SCHEMBL4315861 0.80 PIK3CA (0.72) MAOBMAOAPIK3CAMTORPIK3CG
SCHEMBL19498888 0.73 MEN1 (0.68) MAOBMAOAMEN1KMT2ASTK17B

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 MAOB 979/4885MAOA 970/4885PIK3CA 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.