SCHEMBL3194686

SCHEMBL3194686

N[C@@H](Cc1cnc([N+](=O)[O-])[nH]1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.49
CYP3A4 P08684 1/20 0.49
SLC1A3 P43003 1/20 0.41
GRIA2 P42262 3/20 0.40
PTPRA P18433 1/20 0.40
GRIA1 P42261 2/20 0.40
GRIA4 P48058 2/20 0.40
GRIK5 Q16478 1/20 0.40
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
GRIA3 P42263 1/20 0.36

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
SCHEMBL5292853 0.80 SLC7A5 (0.53) SLC7A5CYP3A4SLC1A3GRIA2GRIA1
SCHEMBL26912795 0.80 SLC7A5 (0.53) SLC7A5CYP3A4SLC1A3GRIA2GRIA1
SCHEMBL1539194 0.80 SLC7A5 (0.53) SLC7A5CYP3A4SLC1A3GRIA2GRIA1
Hydrochloric Acid SCHEMBL28353144 0.78 SLC7A5 (0.51) SLC7A5CYP3A4SLC1A3GRIA2GRIA1
SCHEMBL13095827 0.78 SLC7A5 (0.54) SLC7A5CYP3A4SLC1A3GRIA2GRIA1
SCHEMBL4854900 0.78 SLC7A5 (0.54) SLC7A5CYP3A4SLC1A3GRIA2GRIA1
SCHEMBL59810 0.78 SLC7A5 (0.54) SLC7A5CYP3A4SLC1A3GRIA2GRIA1
SCHEMBL59078 0.78 SLC7A5 (0.54) SLC7A5CYP3A4SLC1A3GRIA2GRIA1
SCHEMBL5289317 0.78 SLC7A5 (0.54) SLC7A5CYP3A4SLC1A3GRIA2GRIA1
SCHEMBL5279998 0.76 SLC7A5 (0.53) SLC7A5CYP3A4SLC1A3GRIA2GRIA1

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-20100035952-A1 Radiosensitizer Formulations and Methods for Use Matthews, Dr. Richard H. (US) 2010-02-11 US disclosed
US-7608612-B2 Radiosensitizer formulations and methods for use Matthews, Richard H. (US) 2009-10-27 US disclosed
EP-1838305-A1 RADIOSENSITIZER FORMULATIONS COMPRISING NITROHISTIDINE DERIVATIVES Matthews, Richard H. (US) 2007-10-03 EP disclosed
US-20060193917-A1 Radiosensitizer formulations and methods for use MATTHEWS, RICHARD H., DR. 2006-08-31 US disclosed
WO-2006078903-A1 RADIOSENSITIZER FORMULATIONS COMPRISING NITROHISTIDINE DERIVATIVES MATTHEWS RICHARD H (US) 2006-07-27 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 (2 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-20100035952-A1 Radiosensitizer Formulations and Methods for Use NOS2, IDH1, HNMT SLC7A5 189/4885CYP3A4 1580/4885SLC1A3 668/4885
US-20060193917-A1 Radiosensitizer formulations and methods for use NOS2, IDH1, HNMT SLC7A5 189/4885CYP3A4 1580/4885SLC1A3 668/4885

“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.