SCHEMBL13908946

SCHEMBL13908946

CC(=O)OC1CC(n2ccnc2[N+](=O)[O-])OC1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
RNASE1 P07998 1/20 0.38
ADRB1 P08588 1/20 0.34
DNMT1 P26358 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.33
CD69 Q07108 1/20 0.33
CYP1A2 P05177 1/20 0.33
HBB P68871 1/20 0.33
SLC29A1 Q99808 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TK2 O00142 2/20 0.32
HIF1A Q16665 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
SCHEMBL13908942 0.91 KMT2A (0.33) POLBRNASE1LMNATHRBCYP2C19
SCHEMBL13908945 0.83 RNASE1 (0.32) RNASE1CA12CA1CA2CA9
SCHEMBL11079006 0.81 ADRB1 (0.49) ADRB1DNMT1LMNACYP1A2HBB
SCHEMBL13908934 0.81 ADRB1 (0.49) ADRB1DNMT1LMNACYP1A2HBB
SCHEMBL11069368 0.81 ADRB1 (0.49) ADRB1DNMT1LMNACYP1A2HBB
SCHEMBL11069365 0.81 ADRB1 (0.49) ADRB1DNMT1LMNACYP1A2HBB
SCHEMBL13908921 0.80 SMYD2 (0.33) POLBRNASE1
SCHEMBL5911921 0.80 SLC29A1 (0.36) ADRB1DNMT1LMNATHRBCYP2C19
SCHEMBL5911894 0.80 SLC29A1 (0.36) ADRB1DNMT1LMNATHRBCYP2C19
SCHEMBL5911916 0.80 SLC29A1 (0.36) ADRB1DNMT1LMNATHRBCYP2C19

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-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
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
WO-2007079902-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 TUEBINGEN UNIVERSITAETSKLINIKUM (DE) 2007-07-19 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-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 POLB 238/4885RNASE1 454/4885ADRB1 2387/4885

“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.