SCHEMBL117653

SCHEMBL117653

Cc1cc(Cl)ccc1-c1ccc(-c2cc(C(=O)CCC(=O)O)nn2-c2cccnc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 10/20 0.65
PPP1CA P62136 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MALT1 Q9UDY8 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CHRNA7 P36544 2/20 0.44
RPA1 P27694 1/20 0.43
FABP3 P05413 1/20 0.41
FABP4 P15090 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
SCHEMBL117654 0.86 MARS1 (0.84) MARS1L3MBTL1MALT1MEN1KMT2A
SCHEMBL118666 0.79 MARS1 (1.00) MARS1PPP1CAL3MBTL1SMN1; SMN2RPA1
SCHEMBL8475502 0.72 MALT1 (0.68) MARS1PPP1CAMALT1SMN1; SMN2CHRNA7
SCHEMBL11759367 0.71 KMT2A (0.53) L3MBTL1KMT2ASMN1; SMN2
SCHEMBL18353660 0.68 MARS1 (0.59) MARS1PPP1CAL3MBTL1MEN1KMT2A
SCHEMBL27668785 0.68 MARS1 (0.67) MARS1PPP1CAL3MBTL1MEN1KMT2A
SCHEMBL16982975 0.68 CYP2A6 (0.51) MEN1KMT2ASMN1; SMN2
SCHEMBL116301 0.67 MARS1 (1.00) MARS1PPP1CAL3MBTL1SMN1; SMN2RPA1
SCHEMBL5521086 0.67 KMT2A (0.55) MARS1MEN1KMT2ACHRNA7RPA1
SCHEMBL14995357 0.66 MARS1 (0.64) MARS1PPP1CAL3MBTL1MEN1KMT2A

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 55/4885PPP1CA 2582/4885L3MBTL1 289/4885

“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.