SCHEMBL2280844

SCHEMBL2280844

O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Cc1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.71
CA1 P00915 3/20 0.71
CA2 P00918 3/20 0.71
CA9 Q16790 3/20 0.71
FTO Q9C0B1 2/20 0.60
PABPC1 P11940 2/20 0.60
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 1/20 0.59
S1PR1 P21453 1/20 0.59
HTT P42858 1/20 0.59
RAD52 P43351 1/20 0.59
RECQL P46063 1/20 0.59
RAB9A P51151 1/20 0.59
PAX8 Q06710 1/20 0.59
NTRK1 P04629 1/20 0.55
NGFR P08138 1/20 0.55
LCK P06239 1/20 0.52

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
SCHEMBL2280848 1.00 CA12 (0.71) CA12CA1CA2CA9FTO
SCHEMBL3856490 0.89 CA12 (0.76) CA12CA1CA2CA9FTO
SCHEMBL14636119 0.86 CA12 (0.78) CA12CA1CA2CA9FTO
SCHEMBL3853199 0.83 CA12 (0.70) CA12CA1CA2CA9FTO
SCHEMBL2365090 0.81 MPO (0.58) CA12CA1CA2CA9FTO
SCHEMBL2365089 0.81 MPO (0.58) CA12CA1CA2CA9FTO
SCHEMBL1893251 0.78 FTO (0.72) CA12CA1CA2CA9FTO
SCHEMBL2285573 0.78 FTO (0.72) CA12CA1CA2CA9FTO
SCHEMBL1901643 0.78 FTO (0.72) CA12CA1CA2CA9FTO
SCHEMBL4234600 0.78 CLTC (0.59) CA12CA1CA2CA9FTO

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 CA12 3663/4885CA1 4552/4885CA2 4603/4885

“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.