SCHEMBL178883

SCHEMBL178883

Brc1cc(Br)cc(CNCCCNc2nc3ccccc3[nH]2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.56
TRPC3 Q13507 1/20 0.56
TRPC4 Q9UBN4 1/20 0.56
TRPC5 Q9UL62 1/20 0.56
SLC2A1 P11166 2/20 0.54
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNH2 Q12809 1/20 0.52
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.48

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 0.92 SLC2A1 (0.60) BCHETRPC3TRPC4TRPC5SLC2A1
SCHEMBL178919 0.89 BCHE (0.51) BCHETRPC3TRPC4TRPC5SLC2A1
SCHEMBL10069522 0.88 SLC2A1 (0.66) BCHETRPC3TRPC4TRPC5SLC2A1
SCHEMBL5383267 0.85 SLC2A1 (0.40) BCHETRPC3TRPC4TRPC5SLC2A1
SCHEMBL178850 0.84 MARS1 (0.46)
SCHEMBL8216800 0.83 ALDH1A1 (0.49) SLC2A1TP53RAB9ASMN1; SMN2
SCHEMBL178884 0.82 SLC2A1 (0.56) SLC2A1
SCHEMBL178925 0.78 BCHE (0.51) BCHETRPC3TRPC4TRPC5
SCHEMBL8209736 0.78 RAB9A (0.75) BCHETRPC3TRPC4TRPC5SLC2A1
SCHEMBL178860 0.77 MARS1 (0.47) SLC2A1KCNH2

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 2 patents. 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
WO-2000071522-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS METHIONYL T-RNA SYNTHETASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO 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 BCHE 4506/4885TRPC3 1951/4885TRPC4 3619/4885

“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.