SCHEMBL1189351

SCHEMBL1189351

O=C1NCC(=O)N2CCCC[C@H]12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PARP1 P09874 3/20 0.38
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
PPIA P62937 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3519708 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL3519704 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL30768150 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL21736594 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL21736595 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAAMEN1
Cyclo(Prolylglycyl) SCHEMBL3016264 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAAMEN1
Cyclo(Prolylglycyl) SCHEMBL4247464 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAAMEN1
Cyclo(Prolylglycyl) SCHEMBL4243772 0.94 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL19605682 0.93 KDM4E (0.39) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL19605610 0.93 KDM4E (0.39) ALDH1A1KDM4EMAPTGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 US disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 US disclosed
US-7304064-B2 1-[(indol-3-yl)carbonyl]piperazine derivatives N.V. ORGANON (NL) 2007-12-04 US disclosed
EP-1549637-B1 1- (INDOL-3-YL)CARBONYL PIPERAZINE DERIVATIVES ORGANON NV (NL) 2007-05-02 EP disclosed
US-20050250760-A1 1-[(Indol-3-yl)carbonyl]piperazine derivatives MERCK SHARP & DOHME B.V. (NL) 2005-11-10 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 (3 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-20050250760-A1 1-[(Indol-3-yl)carbonyl]piperazine derivatives IDO1, OPRL1, OPRK1 ALDH1A1 689/4885KDM4E 1502/4885MAPT 2304/4885
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS ALDH1A1 985/4885KDM4E 2284/4885MAPT 4508/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 ALDH1A1 1567/4885KDM4E 1719/4885MAPT 4456/4885

“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.