SCHEMBL4062166

SCHEMBL4062166

CN(C(N)=O)C(=O)c1cccc2cccnc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.64
NPC1 O15118 2/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
ALDH1A1 P00352 6/20 0.48
LMNA P02545 2/20 0.46
ALOX12 P18054 1/20 0.46
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PLK4 O00444 1/20 0.43
MAP4K4 O95819 1/20 0.43
EGFR P00533 1/20 0.43
ROS1 P08922 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
SCHEMBL4961749 0.84 PARP1 (0.62) PARP1NPC1CASP3RAB9ASENP8
SCHEMBL3447443 0.79 PARP1 (0.55) PARP1NPC1CASP3RAB9ASENP8
SCHEMBL3922378 0.79 PARP1 (0.55) PARP1NPC1CASP3RAB9ASENP8
SCHEMBL29923346 0.79 PARP1 (1.00) PARP1NPC1CASP3RAB9ASENP8
SCHEMBL460456 0.79 PARP1 (1.00) PARP1NPC1CASP3RAB9ASENP8
SCHEMBL29959688 0.79 PARP1 (1.00) PARP1NPC1CASP3RAB9ASENP8
SCHEMBL6984750 0.78 LMNA (0.61) PARP1NPC1CASP3RAB9ASENP8
Hydrochloric Acid SCHEMBL29933479 0.77 PARP1 (0.96) PARP1NPC1CASP3RAB9ASENP8
Hydrochloric Acid SCHEMBL18094592 0.77 PARP1 (0.96) PARP1NPC1CASP3RAB9ASENP8
SCHEMBL6823525 0.77 ALDH1A1 (0.63) PARP1NPC1CASP3RAB9ASENP8

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-1585757-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-08-01 EP disclosed
EP-1585757-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
US-7442793-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-10-28 US disclosed
US-20070173542-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2007-07-26 US disclosed
EP-1585757-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-19 EP disclosed
WO-2004052919-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-24 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-20070173542-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 PARP1 2856/4885NPC1 1328/4885CASP3 2724/4885

“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.