SCHEMBL10069522

SCHEMBL10069522

Clc1cc(Cl)cc(CNCCCNc2nc3ccccc3[nH]2)c1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.66
KCNH2 Q12809 1/20 0.64
BCHE P06276 1/20 0.56
TRPC3 Q13507 1/20 0.56
TRPC4 Q9UBN4 1/20 0.56
TRPC5 Q9UL62 1/20 0.56
MEN1 O00255 1/20 0.53
GFER P55789 1/20 0.53
KMT2A Q03164 1/20 0.53
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL10069523 0.94 SLC2A1 (0.60) SLC2A1KCNH2BCHETRPC3TRPC4
SCHEMBL178883 0.88 BCHE (0.56) SLC2A1KCNH2BCHETRPC3TRPC4
SCHEMBL178859 0.84 MARS1 (0.51) SLC2A1KCNH2
SCHEMBL19377809 0.82 SLC2A1 (0.52) SLC2A1KCNH2TP53SMN1; SMN2
SCHEMBL7104085 0.81 SLC2A1 (0.66) SLC2A1KCNH2BCHETRPC3TRPC4
SCHEMBL178919 0.80 BCHE (0.51) SLC2A1BCHETRPC3TRPC4TRPC5
SCHEMBL19377967 0.80 RAB9A (0.64) SLC2A1KCNH2MEN1GFERKMT2A
SCHEMBL19378103 0.80 SLC2A1 (0.44) SLC2A1KCNH2RAB9A
SCHEMBL178860 0.80 MARS1 (0.47) SLC2A1KCNH2
SCHEMBL19378081 0.78 SLC2A1 (0.47) SLC2A1KCNH2RAB9A

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 4328/4885KCNH2 4860/4885BCHE 4506/4885

“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.