SCHEMBL117654

SCHEMBL117654

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

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 4/20 0.84
MALT1 Q9UDY8 14/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL117653 0.86 MARS1 (0.65) MARS1MALT1MEN1KMT2AL3MBTL1
SCHEMBL118666 0.77 MARS1 (1.00) MARS1L3MBTL1
SCHEMBL6345557 0.71 MAPK9 (0.71) MALT1
SCHEMBL5529688 0.69 MARS1 (0.52) MARS1MALT1MEN1KMT2ANFKB1
SCHEMBL116301 0.68 MARS1 (1.00) MARS1L3MBTL1
SCHEMBL14416565 0.68 MARS1 (0.51) MARS1MALT1MEN1KMT2A
SCHEMBL27694757 0.68 TDP1 (0.57) MARS1MALT1MEN1KMT2AL3MBTL1
SCHEMBL24441094 0.67 MALT1 (1.00) MALT1MEN1KMT2ANFKB1NFKB2
SCHEMBL5523089 0.67 CNR1 (0.53) MARS1MALT1MEN1KMT2ANFKB1
SCHEMBL18353660 0.67 MARS1 (0.59) MARS1MEN1KMT2AL3MBTL1

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 55/4885MALT1 1032/4885MEN1 4664/4885

“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.