SCHEMBL178915

SCHEMBL178915

CO[C@@H](CNCc1ccc(Cl)c(Cl)c1)CNc1cc(=O)c2ccccc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.65
CNR1 P21554 1/20 0.44
DNM1 Q05193 1/20 0.41
PLA2G1B P04054 1/20 0.40
POLB P06746 1/20 0.40
ATG4B Q9Y4P1 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
SCHEMBL7807042 1.00 MARS1 (0.65) MARS1CNR1DNM1PLA2G1BPOLB
SCHEMBL178908 0.85 MARS1 (0.69) MARS1CNR1DNM1PLA2G1BPOLB
SCHEMBL5668528 0.83 MARS1 (0.64) MARS1CNR1DNM1
SCHEMBL7815628 0.81 MARS1 (0.87) MARS1
SCHEMBL178914 0.79 MARS1 (1.00) MARS1
SCHEMBL7821091 0.79 MARS1 (0.96) MARS1
SCHEMBL7807655 0.78 MARS1 (0.69) MARS1CNR1
SCHEMBL7811213 0.78 MARS1 (0.42) MARS1
Hydrochloric Acid SCHEMBL7821357 0.78 MARS1 (0.98) MARS1
SCHEMBL7806974 0.78 MARS1 (0.94) MARS1

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 MARS1 55/4885CNR1 3901/4885DNM1 3491/4885

“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.