SCHEMBL1595026

SCHEMBL1595026

CC(C)(C)OC(=O)N(N)Cc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 2/20 0.45
PAX8 Q06710 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.44
TAAR1 Q96RJ0 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3569305 0.84 ALDH1A1 (0.49) CYP3A4ALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL3559192 0.83 ALDH1A1 (0.50) CYP3A4ALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL3556105 0.83 ALDH1A1 (0.53) CYP3A4ALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL3563503 0.83 ALDH1A1 (0.50) CYP3A4ALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL4889134 0.82 ALDH1A1 (0.49) CYP3A4ALDH1A1SMN1; SMN2TSHRCYP1A2
SCHEMBL3561195 0.80 ALDH1A1 (0.50) CYP3A4ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL3562272 0.80 TSHR (0.50) CYP3A4ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL3567257 0.78 ALDH1A1 (0.48) CYP3A4ALDH1A1SMN1; SMN2TSHRHSD17B10
SCHEMBL24883777 0.78 TAAR1 (0.49) CYP3A4ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL25132039 0.78 TAAR1 (0.49) CYP3A4ALDH1A1SMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US claimed
JP-4563798-B2 2010-10-13 JP claimed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP claimed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US claimed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP claimed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO claimed
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 US disclosed
US-20080161249-A1 Use of Novel Antibacterial Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-07-03 US disclosed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 EP disclosed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 US disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 WO 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-20080161249-A1 Use of Novel Antibacterial Compounds MRPL21, NRDC, SPOUT1 CYP3A4 3454/4885ALDH1A1 4213/4885SMN1; SMN2 4547/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 CYP3A4 4649/4885ALDH1A1 4302/4885SMN1; SMN2 2654/4885

“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.