SCHEMBL178850

SCHEMBL178850

O=c1nc(NCCCNCc2cc(Br)cc(Br)c2)[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 1/20 0.46

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
SCHEMBL178860 0.93 MARS1 (0.47) MARS1
SCHEMBL178861 0.90 SLC2A1 (0.47) —
SCHEMBL178859 0.89 MARS1 (0.51) MARS1
SCHEMBL178883 0.84 BCHE (0.56) —
SCHEMBL178856 0.81 SLC2A1 (0.43) —
SCHEMBL5668282 0.80 MARS1 (0.71) MARS1
SCHEMBL178884 0.79 SLC2A1 (0.56) —
SCHEMBL10069523 0.77 SLC2A1 (0.60) —
SCHEMBL178880 0.77 XDH (0.38) —
SCHEMBL8218149 0.76 BCHE (0.47) —

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 55/4885

“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.

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