SCHEMBL3379309

SCHEMBL3379309

CC(C)(C)OC(=O)C(N)(C(=O)OCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SYK P43405 1/20 0.40
PTPN1 P18031 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
PTPRC P08575 1/20 0.39
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
P2RX7 Q99572 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 1/20 0.37
MMP1 P03956 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL9042229 0.90 LMNA (0.46) KMT2AALDH1A1SYKPTPN1PTPRC
SCHEMBL4689225 0.90 LMNA (0.46) KMT2AALDH1A1SYKPTPN1PTPRC
SCHEMBL7561030 0.87 GLA (0.42) ALDH1A1SYKHCAR2MMP1GLA
SCHEMBL192403 0.86 MAOB (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL26086091 0.83 ALDH1A1 (0.46) SMN1; SMN2KMT2AMEN1TP53HPGD
SCHEMBL2928882 0.83 MAPT (0.42) SMN1; SMN2KMT2AMEN1HPGDALDH1A1
SCHEMBL4688233 0.82 PTPN1 (0.41) KMT2AMEN1ALDH1A1SYKPTPN1
SCHEMBL4683877 0.81 LTA4H (0.42) KMT2AMEN1ALDH1A1SYKPTPN1
SCHEMBL3378133 0.80 CA12 (0.41) ALDH1A1SYKPTPN1HCAR2CA12
SCHEMBL3045824 0.80 ALDH1A1 (0.49) SMN1; SMN2KMT2AMEN1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 US disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF SMN1; SMN2 2176/4885KMT2A 179/4885MEN1 444/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC SMN1; SMN2 4254/4885KMT2A 1913/4885MEN1 1615/4885

“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.