SCHEMBL117488

SCHEMBL117488

O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1[C@@H](c2ccccc2)O[C@@]23[C@@H](O)c4ccccc4[C@@H]2OC(=O)[C@@H]13

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FARS2 O95363 5/20 1.00
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 5/20 0.36
LMNA P02545 2/20 0.36
MAOB P27338 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 2/20 0.35
SERPINE1 P05121 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
EPHX1 P07099 2/20 0.33
EPHX2 P34913 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GFER P55789 1/20 0.33
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL118476 1.00 FARS2 (1.00) FARS2NFKB1NFKB2RELANPC1
SCHEMBL116095 1.00 FARS2 (1.00) FARS2NFKB1NFKB2RELANPC1
SCHEMBL117490 1.00 FARS2 (1.00) FARS2NFKB1NFKB2RELANPC1
SCHEMBL117295 1.00 FARS2 (1.00) FARS2NFKB1NFKB2RELANPC1
SCHEMBL117501 1.00 FARS2 (1.00) FARS2NFKB1NFKB2RELANPC1
SCHEMBL116106 0.81 FARS2 (1.00) FARS2NFKB1NFKB2RELANPC1
SCHEMBL117504 0.81 FARS2 (1.00) FARS2NFKB1NFKB2RELANPC1
SCHEMBL13743873 0.59 NPC1 (0.53) FARS2NFKB1NFKB2RELANPC1
SCHEMBL11173159 0.59 NPC1 (0.46) FARS2NFKB1NFKB2RELANPC1
SCHEMBL17266569 0.58 KMT2A (0.79) LMNAKMT2AMEN1ALDH1A1KDM4E

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 FARS2 163/4885NFKB1 2539/4885NFKB2 2667/4885

“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.