SCHEMBL179032

SCHEMBL179032

CCc1cc(I)c2c(c1)[C@@H](NCCCNc1nc(=O)c3sccc3[nH]1)CCN2

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 2/20 0.58
SLC2A1 P11166 2/20 0.42

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
SCHEMBL178927 0.85 MARS1 (0.74) MARS1SLC2A1
SCHEMBL179030 0.82 SLC2A1 (0.60) MARS1SLC2A1
SCHEMBL179023 0.82 MARS1 (0.66) MARS1SLC2A1
SCHEMBL7153458 0.82 MARS1 (0.66) MARS1SLC2A1
SCHEMBL178926 0.81 SLC2A1 (0.51) MARS1SLC2A1
SCHEMBL178921 0.81 SLC2A1 (0.51) MARS1SLC2A1
SCHEMBL10069526 0.80 MARS1 (0.62) MARS1SLC2A1
Hydrochloric Acid SCHEMBL5385186 0.80 MARS1 (0.61) MARS1SLC2A1
SCHEMBL178877 0.74 MARS1 (1.00) MARS1
SCHEMBL178879 0.74 MARS1 (1.00) MARS1

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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 MARS1 55/4885SLC2A1 4328/4885

“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.