SCHEMBL117659

SCHEMBL117659

O=C(O)c1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 11/20 1.00
RPA1 P27694 3/20 0.78
SMN1; SMN2 Q16637 2/20 0.55
PPP1CA P62136 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ATM Q13315 1/20 0.53
CNR1 P21554 1/20 0.53
SMPD1 P17405 1/20 0.52

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
SCHEMBL2871062 0.88 RPA1 (1.00) MARS1RPA1SMN1; SMN2PPP1CAMEN1
SCHEMBL117472 0.87 MARS1 (1.00) MARS1RPA1SMN1; SMN2PPP1CAMEN1
Hydrochloric Acid SCHEMBL8742392 0.87 RPA1 (0.97) MARS1RPA1SMN1; SMN2PPP1CAMEN1
SCHEMBL116270 0.85 MARS1 (1.00) MARS1RPA1SMN1; SMN2PPP1CAMEN1
SCHEMBL117477 0.85 RPA1 (0.83) MARS1RPA1SMN1; SMN2PPP1CAMEN1
SCHEMBL29687591 0.84 MARS1 (0.95) MARS1RPA1SMN1; SMN2PPP1CALMNA
SCHEMBL1514645 0.84 MARS1 (0.95) MARS1RPA1SMN1; SMN2PPP1CALMNA
SCHEMBL5157006 0.83 RPA1 (0.85) MARS1RPA1SMN1; SMN2PPP1CAMEN1
SCHEMBL117471 0.83 MARS1 (1.00) MARS1RPA1SMN1; SMN2
SCHEMBL27958107 0.81 PPP1CA (0.77) MARS1RPA1SMN1; SMN2PPP1CAMEN1

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 1722/4885SMN1; SMN2 3128/4885

“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.