SCHEMBL4062161

SCHEMBL4062161

NC(=O)CNC(=O)c1cccc2cccnc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.62
EGLN1 Q9GZT9 5/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
PREP P48147 1/20 0.53
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
KDR P35968 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL7382937 0.87 EGLN1 (0.74) PARP1EGLN1NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL4062177 0.84 PARP1 (0.59) PARP1EGLN1NPC1RAB9AMEN1
SCHEMBL110552 0.83 PARP1 (0.67) PARP1EGLN1NPC1RAB9AMEN1
SCHEMBL30578057 0.80 EGLN1 (0.51) PARP1EGLN1NPC1RAB9AMEN1
SCHEMBL2639699 0.79 NPC1 (0.63) PARP1EGLN1NPC1RAB9AMEN1
SCHEMBL2639696 0.79 NPC1 (0.63) PARP1EGLN1NPC1RAB9AMEN1
SCHEMBL3922372 0.78 RAB9A (0.56) PARP1EGLN1NPC1RAB9AMEN1
SCHEMBL6983554 0.78 EGLN1 (0.76) EGLN1NPC1RAB9AMEN1KMT2A
SCHEMBL3080238 0.78 PARP1 (0.64) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL4448177 0.78 ATM (0.49) EGLN1MEN1KMT2ASMN1; SMN2ALDH1A1

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 2856/4885EGLN1 1875/4885NPC1 1328/4885

“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.