SCHEMBL117500

SCHEMBL117500

O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)nn1Cc1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 13/20 1.00
P2RX7 Q99572 1/20 0.47
PDK1 Q15118 1/20 0.47
SLC16A3 O15427 1/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.43

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 0.89 MARS1 (1.00) MARS1SMN1; SMN2TDP1POLB
SCHEMBL116364 0.83 MARS1 (1.00) MARS1SLC16A3
SCHEMBL118672 0.81 MARS1 (1.00) MARS1SLC16A3
SCHEMBL27687135 0.80 MARS1 (0.65) MARS1SMN1; SMN2TDP1POLB
SCHEMBL27687138 0.75 SMN1; SMN2 (0.69) MARS1SMN1; SMN2TDP1POLB
SCHEMBL8367181 0.75 MARS1 (0.65) MARS1SLC16A3KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8364783 0.74 MARS1 (0.64) MARS1SLC16A3KDM4ESMN1; SMN2
SCHEMBL117516 0.73 SMN1; SMN2 (0.60) MARS1SMN1; SMN2TDP1POLB
SCHEMBL117498 0.72 MARS1 (1.00) MARS1
SCHEMBL117716 0.70 MARS1 (1.00) MARS1SLC16A3

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 55/4885P2RX7 2174/4885PDK1 3637/4885

“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.