SCHEMBL2905696

SCHEMBL2905696

N=C(N)NCCCC[C]=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALB P02768 1/20 0.34
HIF1A Q16665 2/20 0.32
TSHR P16473 1/20 0.32
SPHK1 Q9NYA1 3/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7435955 0.98 SMN1; SMN2 (0.50) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL1774552 0.98 SMN1; SMN2 (0.50) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL5497458 0.98 SMN1; SMN2 (0.50) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL7283594 0.98 SMN1; SMN2 (0.50) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL1775038 0.93
SCHEMBL2906945 0.84
SCHEMBL1521224 0.81 DPP7 (0.49) MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL1521786 0.81 DPP7 (0.49) MEN1CYP1A2KMT2ASMN1; SMN2
Arcaine SCHEMBL303546 0.81 MEN1 (0.62) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL28331747 0.80 KDM4E (0.36) MEN1KMT2ASMN1; SMN2HIF1AKDM4E

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305198-A1 CATIONIC LIPIDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURG (GB) 2010-12-02 US claimed
EP-2212279-A1 CATIONIC LIPIDS The University Court Of The University of Edinburgh (GB) 2010-08-04 EP claimed
WO-2009050483-A1 CATIONIC LIPIDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2009-04-23 WO claimed
EP-0334244-A2 Bradykinin Antagonist Peptides THE PROCTER & GAMBLE COMPANY (US) 1989-09-27 EP claimed
US-5401722-A Peptide analogues MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-28 US disclosed
US-5378691-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 US disclosed
US-5328916-A Renin inhibitors, hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-12 US disclosed
US-5147857-A Enzyme inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-09-15 US disclosed
EP-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0499080-A2 Aminoacid derivatibes MERCK PATENT GmbH (DE) 1992-08-19 EP disclosed
EP-0490259-A2 Aminoacid and peptid derivatives with renin inhibiting properties MERCK PATENT GmbH (DE) 1992-06-17 EP disclosed
EP-0481311-A2 Aminoacid derivatives MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed
EP-0456039-A2 Renin inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1991-11-13 EP disclosed
EP-0446751-A1 Glycolic acid derivatives MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0418696-A2 Derivatives of aminoacids MERCK PATENT GmbH (DE) 1991-03-27 EP disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed
EP-0337334-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-10-18 EP disclosed
EP-0334244-A2 Bradykinin Antagonist Peptides THE PROCTER & GAMBLE COMPANY (US) 1989-09-27 EP disclosed
EP-0333071-A2 Polypeptides, methods for their preparation, pharmaceutical compositions comprising them and use Eisai Co., Ltd. (JP) 1989-09-20 EP 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-20100305198-A1 CATIONIC LIPIDS CETP, LIPA, ABHD16A ALOX15 892/4885MEN1 1595/4885CYP1A2 4828/4885

“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.