SCHEMBL116080

SCHEMBL116080

O=C(O)c1cc(-c2ccc(Br)cc2)nc2c(C(F)(F)F)cc(Br)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPRS1 P07814 6/20 1.00
DHODH Q02127 3/20 0.49
AURKA O14965 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
SCHEMBL117430 0.76 EPRS1 (0.79) EPRS1DHODH
SCHEMBL10758255 0.75 PDE10A (0.64) EPRS1DHODHAURKA
SCHEMBL117228 0.74 EPRS1 (0.65) EPRS1DHODH
SCHEMBL116062 0.73 EPRS1 (0.64) EPRS1DHODH
SCHEMBL116047 0.72 EPRS1 (0.63) EPRS1DHODH
SCHEMBL117434 0.72 EPRS1 (1.00) EPRS1DHODHAURKA
SCHEMBL117482 0.72 EPRS1 (1.00) EPRS1DHODH
SCHEMBL29788463 0.72 DHODH (0.80) EPRS1DHODH
SCHEMBL116022 0.72 DHODH (0.80) EPRS1DHODH
SCHEMBL5792900 0.71 DHODH (0.78) EPRS1DHODH

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
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 EPRS1 13/4885DHODH 2635/4885AURKA 3612/4885

“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.