SCHEMBL116270

SCHEMBL116270

O=C(O)c1cc(-c2ccc(-c3ccc(F)c(Cl)c3)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 8/20 1.00
RPA1 P27694 3/20 0.80
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
PPP1CA P62136 3/20 0.55
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CNR1 P21554 1/20 0.53
SMPD1 P17405 1/20 0.53

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 0.89 RPA1 (1.00) MARS1RPA1MEN1KMT2AATM
SCHEMBL117472 0.88 MARS1 (1.00) MARS1RPA1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL8742392 0.88 RPA1 (0.97) MARS1RPA1MEN1KMT2AATM
SCHEMBL117477 0.86 RPA1 (0.83) MARS1RPA1MEN1KMT2ASMN1; SMN2
SCHEMBL29687591 0.85 MARS1 (0.95) MARS1RPA1SMN1; SMN2PPP1CALMNA
SCHEMBL1514645 0.85 MARS1 (0.95) MARS1RPA1SMN1; SMN2PPP1CALMNA
SCHEMBL117659 0.85 MARS1 (1.00) MARS1RPA1MEN1KMT2AATM
SCHEMBL5157006 0.84 RPA1 (0.85) MARS1RPA1MEN1KMT2AATM
SCHEMBL117471 0.84 MARS1 (1.00) MARS1RPA1SMN1; SMN2
SCHEMBL1765068 0.79 PPP1CA (0.71) MARS1RPA1MEN1KMT2AATM

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 1722/4885MEN1 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.