SCHEMBL117472

SCHEMBL117472

O=C(O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 9/20 1.00
RPA1 P27694 4/20 0.88
L3MBTL1 Q9Y468 1/20 0.66
SMPD1 P17405 1/20 0.65
PPP1CA P62136 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 2/20 0.60
HTT P42858 2/20 0.60
ALDH1A1 P00352 1/20 0.60
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL1514645 0.97 MARS1 (0.95) MARS1RPA1L3MBTL1SMPD1PPP1CA
SCHEMBL29687591 0.97 MARS1 (0.95) MARS1RPA1L3MBTL1SMPD1PPP1CA
SCHEMBL2871062 0.93 RPA1 (1.00) MARS1RPA1L3MBTL1SMPD1PPP1CA
Hydrochloric Acid SCHEMBL8742392 0.92 RPA1 (0.97) MARS1RPA1L3MBTL1SMPD1PPP1CA
SCHEMBL117477 0.90 RPA1 (0.83) MARS1RPA1L3MBTL1SMPD1PPP1CA
SCHEMBL5157006 0.89 RPA1 (0.85) MARS1RPA1L3MBTL1SMPD1PPP1CA
SCHEMBL117471 0.89 MARS1 (1.00) MARS1RPA1SMN1; SMN2
SCHEMBL116270 0.88 MARS1 (1.00) MARS1RPA1L3MBTL1SMPD1PPP1CA
SCHEMBL117659 0.87 MARS1 (1.00) MARS1RPA1L3MBTL1SMPD1PPP1CA
SCHEMBL5473862 0.87 RPA1 (0.78) MARS1RPA1L3MBTL1PPP1CASMN1; SMN2

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 55/4885RPA1 1722/4885L3MBTL1 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.