SCHEMBL179030

SCHEMBL179030

O=c1nc(NCCCN[C@H]2CCNc3c(Br)cc(Br)cc32)[nH]c2ccsc12

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.60
MARS1 P56192 2/20 0.56

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
SCHEMBL178921 0.92 SLC2A1 (0.51) SLC2A1MARS1
SCHEMBL178926 0.92 SLC2A1 (0.51) SLC2A1MARS1
SCHEMBL2173453 0.84 MARS1 (0.72) SLC2A1MARS1
SCHEMBL2271965 0.84 MARS1 (0.72) SLC2A1MARS1
SCHEMBL7209605 0.84 MARS1 (0.72) SLC2A1MARS1
SCHEMBL12406475 0.84 MARS1 (0.72) SLC2A1MARS1
Hydrochloric Acid SCHEMBL2173635 0.84 MARS1 (0.71) SLC2A1MARS1
Hydrochloric Acid SCHEMBL2173612 0.84 MARS1 (0.71) SLC2A1MARS1
Hydrochloric Acid SCHEMBL2173823 0.84 MARS1 (0.71) SLC2A1MARS1
SCHEMBL179032 0.82 MARS1 (0.58) SLC2A1MARS1

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 SLC2A1 4328/4885MARS1 55/4885

“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.