SCHEMBL116362

SCHEMBL116362

COc1ccccc1-n1nc(-n2cnnn2)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 4/20 1.00
CACNA1B Q00975 15/20 0.45
CACNB4 O00305 11/20 0.45
CACNA1A O00555 11/20 0.45
CACNA1G O43497 11/20 0.45
CACNG3 O60359 11/20 0.45
CACNA1F O60840 11/20 0.45
CACNA1H O95180 11/20 0.45
CACNB3 P54284 11/20 0.45
CACNA2D1 P54289 11/20 0.45
CACNG7 P62955 11/20 0.45
CACNA1D Q01668 11/20 0.45
CACNB1 Q02641 11/20 0.45
CACNG1 Q06432 11/20 0.45
CACNB2 Q08289 11/20 0.45
CACNA1S Q13698 11/20 0.45
CACNA1C Q13936 11/20 0.45
CACNA1E Q15878 11/20 0.45
CACNA2D4 Q7Z3S7 11/20 0.45
CACNA2D3 Q8IZS8 11/20 0.45

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
SCHEMBL116352 0.77 MARS1 (1.00) MARS1
SCHEMBL116345 0.77 MARS1 (1.00) MARS1
SCHEMBL2721346 0.70 ALDH1A1 (0.64) MARS1
SCHEMBL15781023 0.69 CACNA1B (0.60) MARS1CACNA1BCACNB4CACNA1ACACNA1G
SCHEMBL11117017 0.63 NOTUM (0.56) MARS1
SCHEMBL15781857 0.63 CACNB4 (0.80) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15772247 0.63 CACNA1B (0.58) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15781864 0.63 CACNB4 (0.77) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL15770960 0.62 CACNB4 (1.00) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
Hydrochloric Acid SCHEMBL15770918 0.62 CACNB4 (0.76) CACNA1BCACNB4CACNA1ACACNA1GCACNG3

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 55/4885CACNA1B 4829/4885CACNB4 4812/4885

“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.