SCHEMBL178862

SCHEMBL178862

O=c1nc(NCCCNCc2cc(Cl)cc(Cl)c2)[nH]c2ccsc12

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.52
MARS1 P56192 2/20 0.41
KCNH2 Q12809 1/20 0.40

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
SCHEMBL10069524 0.95 SLC2A1 (0.48) SLC2A1MARS1KCNH2
SCHEMBL178856 0.89 SLC2A1 (0.43) SLC2A1
SCHEMBL10069521 0.83 SLC2A1 (0.43) SLC2A1
SCHEMBL178859 0.81 MARS1 (0.51) SLC2A1MARS1KCNH2
SCHEMBL8217161 0.77 SLC2A1 (0.69) SLC2A1KCNH2
SCHEMBL178860 0.76 MARS1 (0.47) SLC2A1MARS1KCNH2
SCHEMBL10069522 0.75 SLC2A1 (0.66) SLC2A1KCNH2
SCHEMBL178852 0.73 SLC2A1 (0.40) SLC2A1
SCHEMBL19377809 0.73 SLC2A1 (0.52) SLC2A1KCNH2
SCHEMBL19378081 0.73 SLC2A1 (0.47) SLC2A1MARS1KCNH2

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 55/4885KCNH2 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.