SCHEMBL178860

SCHEMBL178860

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

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.47
SLC2A1 P11166 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL178859 0.95 MARS1 (0.51) MARS1SLC2A1KCNH2
SCHEMBL178850 0.93 MARS1 (0.46) MARS1
SCHEMBL10069523 0.85 SLC2A1 (0.60) SLC2A1KCNH2
SCHEMBL178861 0.85 SLC2A1 (0.47) SLC2A1
SCHEMBL10069524 0.82 SLC2A1 (0.48) MARS1SLC2A1KCNH2
SCHEMBL10069522 0.80 SLC2A1 (0.66) SLC2A1KCNH2
SCHEMBL7209594 0.79 SLC2A1 (0.62) MARS1SLC2A1KCNH2
SCHEMBL178883 0.77 BCHE (0.56) SLC2A1KCNH2
SCHEMBL5669207 0.76 MARS1 (0.76) MARS1
SCHEMBL178862 0.76 SLC2A1 (0.52) MARS1SLC2A1KCNH2

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 4328/4885KCNH2 4860/4885

“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.