SCHEMBL13908941

SCHEMBL13908941

O=C(OCC1OC(n2ccnc2[N+](=O)[O-])CC1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.49
RNASE1 P07998 1/20 0.44
UPP1 Q16831 1/20 0.41
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PPM1B O75688 1/20 0.36
BCHE P06276 2/20 0.35
NPC1 O15118 1/20 0.35
FOLH1 Q04609 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
OPRK1 P41145 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL14473823 0.89 ALDH1A1 (0.40) POLBALDH1A1CA1CA2CA9
SCHEMBL5912165 0.81 MEN1 (0.53) POLBALDH1A1MEN1USP2KMT2A
SCHEMBL11073106 0.81 MEN1 (0.53) POLBALDH1A1MEN1USP2KMT2A
SCHEMBL5912157 0.81 MEN1 (0.53) POLBALDH1A1MEN1USP2KMT2A
SCHEMBL5912115 0.80 MEN1 (0.47) POLBALDH1A1MEN1USP2KMT2A
SCHEMBL5911941 0.80 ALDH1A1 (0.47) POLBALDH1A1MEN1USP2KMT2A
SCHEMBL5912120 0.80 MEN1 (0.47) POLBALDH1A1MEN1USP2KMT2A
SCHEMBL5911900 0.80 MEN1 (0.47) POLBALDH1A1MEN1USP2KMT2A
SCHEMBL5911905 0.80 MEN1 (0.47) POLBALDH1A1MEN1USP2KMT2A
SCHEMBL5911948 0.80 ALDH1A1 (0.47) POLBALDH1A1MEN1USP2KMT2A

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 2 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

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 454/4885UPP1 795/4885

“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.