SCHEMBL7815397

SCHEMBL7815397

CCOc1c(Br)cc(Br)cc1C=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
ERN1 O75460 3/20 0.47
THRB P10828 1/20 0.44
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
PRKDC P78527 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
TSHR P16473 1/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL38660114 0.84 ALDH1A1 (0.58) LMNAKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL22216884 0.83 LMNA (0.47) LMNAKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL5373950 0.83 LMNA (0.51) LMNAKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL2390426 0.83 LMNA (0.51) LMNAKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL19381723 0.83 ERN1 (0.44) LMNAKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL38659181 0.81 ALDH1A1 (0.71) LMNAALDH1A1CYP1A2CYP2C19ERN1
SCHEMBL4354925 0.80 THRB (0.55) LMNAKMT2AALDH1A1THRBHTT
SCHEMBL2128796 0.80 LMNA (0.45) LMNAKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL5388061 0.80 LMNA (0.45) LMNAKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL5430162 0.80 LMNA (0.53) LMNAKMT2AALDH1A1CYP1A2CYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
US-6320051-B1 AMINO(NH) OR OXYGEN(O) SUBSTITUTED, ENZYME INHIBITORS OF STAPHLOCCOCUS AUREUS METHIONYL T-RNA SYNTHETASE (MRS); ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-11-20 US disclosed
EP-1084110-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP disclosed
WO-2000071524-A1 2-NH-PYRIDONES AND PYRIMIDONES AS MRS INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO disclosed
WO-2000071522-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS METHIONYL T-RNA SYNTHETASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-11-30 WO disclosed
WO-1999055677-A1 QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES SMITHKLINE BEECHAM PLC (GB) 1999-11-04 WO disclosed
US-4015016-A [(2-Alkoxyberzylidine)amino]quanidines and their anticoccidal use THE DOW CHEMICAL COMPANY (US) 1977-03-29 US disclosed
US-3973039-A [(2-Alkoxybenzylidine)amino]guanidines and their anticoccidial use THE DOW CHEMICAL COMPANY (US) 1976-08-03 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 (2 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-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 LMNA 3835/4885KMT2A 1195/4885ALDH1A1 2330/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 LMNA 3835/4885KMT2A 1195/4885ALDH1A1 2330/4885

“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.