SCHEMBL118672

SCHEMBL118672

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)nn1Cc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 14/20 1.00
SLC16A3 O15427 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TACR3 P29371 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL117660 0.83 MARS1 (1.00) MARS1NPC1
SCHEMBL117499 0.82 MARS1 (1.00) MARS1SLC16A3
SCHEMBL117500 0.81 MARS1 (1.00) MARS1SLC16A3
SCHEMBL27687135 0.76 MARS1 (0.65) MARS1CYP1A2CYP2C9
SCHEMBL8367181 0.76 MARS1 (0.65) MARS1SLC16A3CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL8364783 0.74 MARS1 (0.64) MARS1SLC16A3CYP1A2CYP3A4CYP2C9
SCHEMBL117516 0.72 SMN1; SMN2 (0.60) MARS1CYP1A2CYP2C9
SCHEMBL27687138 0.71 SMN1; SMN2 (0.69) MARS1CYP1A2CYP2C9
SCHEMBL3436589 0.70 MARS1 (0.58) MARS1NPC1
SCHEMBL27706388 0.69 GRN (0.56) MARS1CYP1A2CYP2C9

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 55/4885SLC16A3 3951/4885CYP1A2 4312/4885

“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.