SCHEMBL13908942

SCHEMBL13908942

CC(=O)OC1CC(n2ccnc2[N+](=O)[O-])OC1C[18F]

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
RNASE1 P07998 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL13908946 0.91 POLB (0.39) KMT2ALMNATHRBCYP2C19POLB
SCHEMBL13908945 0.82 RNASE1 (0.32) RNASE1CA12CA1CA2CA9
SCHEMBL5911959 0.81 ADRB1 (0.38) KMT2ALMNACA12CA1CA2
SCHEMBL5911950 0.81 ADRB1 (0.38) KMT2ALMNACA12CA1CA2
SCHEMBL13908921 0.80 SMYD2 (0.33) POLBRNASE1
SCHEMBL5912284 0.79 LMNA (0.39) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL5912275 0.79 LMNA (0.39) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL13908941 0.75 POLB (0.49) KMT2ACYP2C19POLBRNASE1CA1
SCHEMBL5911887 0.74 SLC29A1 (0.36) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL5911894 0.74 SLC29A1 (0.36) KMT2ALMNATHRBCYP2C19CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090060836-A1 DERIVATIVES OF 2-NITRO-1,3-IMIDAZOLE COUPLED TO AMINO ACIDS AND DEOXYRIBOSE USEFUL FOR THE DETECTION OF HYPOXIC BIOLOGICAL TISSUE EBERHARD-KARLS-UNIVERSITAET TUBINGEN UNIVERSITAETSKLINIKUM (DE) 2009-03-05 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-20090060836-A1 DERIVATIVES OF 2-NITRO-1,3-IMIDAZOLE COUPLED TO AMINO ACIDS AND DEOXYRIBOSE USEFUL FOR THE DETECTION OF HYPOXIC BIOLOGICAL TISSUE HIF1AN, HIF1A, HYOU1 KMT2A 1183/4885LMNA 2091/4885THRB 3498/4885

“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.