SCHEMBL300460

SCHEMBL300460

Cc1cccc(Nc2ccc([N+](=O)[O-])c3nonc23)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.73
MEN1 O00255 10/20 0.73
IDO1 P14902 5/20 0.73
MYC P01106 8/20 0.72
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MAX P61244 4/20 0.58
MAPT P10636 2/20 0.58
PSMD14 O00487 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
OPRK1 P41145 1/20 0.55

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
SCHEMBL6831385 0.86 MEN1 (0.74) KMT2AMEN1IDO1MYCNPC1
SCHEMBL15931647 0.85 MEN1 (0.72) KMT2AMEN1IDO1MYCNPC1
SCHEMBL6831350 0.85 MEN1 (0.73) KMT2AMEN1IDO1MYCNPC1
SCHEMBL300142 0.85 MEN1 (0.72) KMT2AMEN1IDO1MYCNPC1
SCHEMBL17934470 0.84 MEN1 (0.69) KMT2AMEN1IDO1MYCNPC1
SCHEMBL300424 0.84 IDO1 (1.00) KMT2AMEN1IDO1MYCNPC1
SCHEMBL3712058 0.84 MEN1 (1.00) KMT2AMEN1IDO1MYCNPC1
SCHEMBL16139683 0.84 MEN1 (0.79) KMT2AMEN1IDO1MYCNPC1
SCHEMBL16139703 0.82 MYC (0.63) KMT2AMEN1IDO1MYCNPC1
SCHEMBL16107848 0.82 MYC (1.00) KMT2AMEN1IDO1MYCMAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2012-05-17 US disclosed
EP-2427442-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128156-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO 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-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION TENT4B, IRF3, MAVS KMT2A 1674/4885MEN1 4597/4885IDO1 196/4885

“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.