SCHEMBL2285573

SCHEMBL2285573

NCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 3/20 0.72
PABPC1 P11940 2/20 0.72
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
POLB P06746 3/20 0.71
MAPT P10636 2/20 0.71
KDM4E B2RXH2 1/20 0.71
S1PR1 P21453 1/20 0.71
HTT P42858 1/20 0.71
RAD52 P43351 1/20 0.71
RECQL P46063 1/20 0.71
RAB9A P51151 1/20 0.71
PAX8 Q06710 1/20 0.71
CA12 O43570 3/20 0.67
CA1 P00915 3/20 0.67
CA2 P00918 3/20 0.67
CA9 Q16790 3/20 0.67
HEXA P06865 3/20 0.65
HEXB P07686 3/20 0.65
LCK P06239 1/20 0.61

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
SCHEMBL12660522 0.88 FTO (0.64) FTOPABPC1MEN1KMT2APOLB
SCHEMBL8670977 0.87 FTO (0.63) FTOPABPC1MEN1KMT2APOLB
SCHEMBL12660530 0.87 FTO (0.69) FTOPABPC1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL5747370 0.87 FTO (0.72) FTOPABPC1MEN1KMT2APOLB
SCHEMBL1893251 0.87 FTO (0.72) FTOPABPC1MEN1KMT2APOLB
SCHEMBL1901643 0.87 FTO (0.72) FTOPABPC1MEN1KMT2APOLB
SCHEMBL26773419 0.87 FTO (0.76) FTOPABPC1MEN1KMT2APOLB
SCHEMBL8670974 0.87 FTO (0.65) FTOPABPC1MEN1KMT2APOLB
SCHEMBL12660529 0.86 FTO (0.71) FTOPABPC1MEN1KMT2APOLB
SCHEMBL9501837 0.86 FTO (0.82) FTOPABPC1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
US-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY 2013-01-03 US disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 WO disclosed
WO-2011091209-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 NORTH CAROLINA STATE UNIVERSITY (US) 2011-07-28 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-20130005759-A1 SMALL MOLECULE MODIFIERS OF MICRORNA MIR-122 HAVCR2, CCAR2, EIF2AK2 FTO 4828/4885PABPC1 1548/4885MEN1 4573/4885

“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.