SCHEMBL3899341

SCHEMBL3899341

NC(=O)C(Cc1c(Cl)cccc1Cl)CN(O)C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MAOA P21397 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3899337 0.78 AKR1B1 (0.34) MEN1KMT2AAKR1B1GAAHTT
SCHEMBL3895767 0.78 PNMT (0.42)
SCHEMBL3903096 0.78 CYP1A2 (0.49)
SCHEMBL3898351 0.76 LARS1 (0.39) MAPT
SCHEMBL3900013 0.70 HDAC1 (0.44) MEN1KMT2AHTTSMN1; SMN2
SCHEMBL4617605 0.67 AKR1B1 (0.48) ADRA2AMEN1LMNACYP3A4HTR1A
SCHEMBL3899691 0.65 CA1 (0.41) CYP3A4HTR2AHTR2CADRA1ADRD3
SCHEMBL3901130 0.65 SLC1A3 (0.38)
SCHEMBL2852938 0.63 TAAR1 (0.56) ADRA2AMEN1LMNACYP3A4HTR1A
SCHEMBL29397997 0.63 SLC7A5 (0.55) MEN1CYP2C19KMT2AHSD17B10AKR1B1

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
EP-1615629-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-03-18 EP claimed
US-7375120-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-05-20 US claimed
EP-1615629-A4 PEPTIDE DEFORMYLASE INHIBITORS CHRISTENSEN SIEGFRIED B IV (US) 2007-02-28 EP claimed
US-20060229341-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2006-10-12 US claimed
EP-1615629-A1 PEPTIDE DEFORMYLASE INHIBITORS Christensen, Siegfried B. IV (US) 2006-01-18 EP claimed
WO-2004098584-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-18 WO claimed
EP-1615629-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-03-18 EP disclosed
US-7375120-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-05-20 US disclosed
EP-1615629-A4 PEPTIDE DEFORMYLASE INHIBITORS CHRISTENSEN SIEGFRIED B IV (US) 2007-02-28 EP disclosed
US-20060229341-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2006-10-12 US disclosed
EP-1615629-A1 PEPTIDE DEFORMYLASE INHIBITORS Christensen, Siegfried B. IV (US) 2006-01-18 EP disclosed
WO-2004098584-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-18 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 (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-20060229341-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 ADRA2A 4490/4885MEN1 2495/4885LMNA 2515/4885

“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.