SCHEMBL117660

SCHEMBL117660

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)nn1Cc1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 14/20 1.00
SRD5A2 P31213 1/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
GRM2 Q14416 1/20 0.42

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
SCHEMBL117500 0.89 MARS1 (1.00) MARS1SMN1; SMN2TDP1POLB
SCHEMBL118672 0.83 MARS1 (1.00) MARS1NPC1
SCHEMBL117716 0.81 MARS1 (1.00) MARS1
SCHEMBL27687135 0.80 MARS1 (0.65) MARS1SMN1; SMN2TDP1POLB
SCHEMBL8367181 0.79 MARS1 (0.65) MARS1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL8364783 0.78 MARS1 (0.64) MARS1NPC1SMN1; SMN2
SCHEMBL27687138 0.74 SMN1; SMN2 (0.69) MARS1SMN1; SMN2TDP1POLB
SCHEMBL3436589 0.73 MARS1 (0.58) MARS1NPC1SMN1; SMN2
SCHEMBL117516 0.72 SMN1; SMN2 (0.60) MARS1SMN1; SMN2TDP1POLB
SCHEMBL117498 0.71 MARS1 (1.00) 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 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 MARS1 55/4885SRD5A2 3080/4885NPC1 4306/4885

“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.