SCHEMBL1860296

SCHEMBL1860296

NCC(=O)N1CCN(C(=O)CN)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
CPN1 P15169 1/20 0.47
CPB2 Q96IY4 1/20 0.47
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
DPP4 P27487 1/20 0.39
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39

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
SCHEMBL22814152 1.00
SCHEMBL23410806 0.89 SIGMAR1 (0.46) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL13383637 0.89 GNAI3 (0.50) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL13671477 0.89 SIGMAR1 (0.42) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL18228194 0.88
SCHEMBL1857524 0.88 ATM (0.50) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL6224425 0.88
SCHEMBL914046 0.88
SCHEMBL1688129 0.87 CYP1A2 (0.52) KMT2ATDP1SIGMAR1CPN1CPB2
SCHEMBL22352195 0.87 BLM (0.48) ALDH1A1HSD17B10MEN1KMT2AKDM4E

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
US-7947703-B2 Phenanthridinium derivatives as DNA binding agents UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2011-05-24 US claimed
US-20070249652-A1 Phenanthridinium Derivatives as Dna Binding Agents UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2007-10-25 US claimed
EP-1692130-B1 PHENANTHRIDINIUM DERIVATIVES AS DNA BINDING AGENTS UNIV GLASGOW (GB) 2007-08-08 EP claimed
EP-1692130-A2 PHENANTHRIDINIUM DERIVATIVES AS DNA BINDING AGENTS University Court of The University of Glasgow (GB) 2006-08-23 EP claimed
WO-2005054241-A2 PHENANTHRIDINIUM DERIVATIVES AS DNA BINDING AGENTS THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2005-06-16 WO claimed
US-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE SCRIPPS RESEARCH INSTITUTE 2016-11-03 US disclosed
WO-2015095406-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-06-25 WO disclosed
US-7947703-B2 Phenanthridinium derivatives as DNA binding agents UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2011-05-24 US disclosed
US-20070249652-A1 Phenanthridinium Derivatives as Dna Binding Agents UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2007-10-25 US disclosed
EP-1692130-B1 PHENANTHRIDINIUM DERIVATIVES AS DNA BINDING AGENTS UNIV GLASGOW (GB) 2007-08-08 EP disclosed
EP-1692130-A2 PHENANTHRIDINIUM DERIVATIVES AS DNA BINDING AGENTS University Court of The University of Glasgow (GB) 2006-08-23 EP disclosed
WO-2005054241-A2 PHENANTHRIDINIUM DERIVATIVES AS DNA BINDING AGENTS THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2005-06-16 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 (2 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-20160317623-A1 MODIFIED THERAPEUTIC AGENTS, STAPLED PEPTIDE LIPID CONJUGATES, AND COMPOSITIONS THEREOF SGMS1, SGMS2, PHOSPHO1 ALDH1A1 4240/4885HSD17B10 3708/4885MEN1 25/4885
US-20070249652-A1 Phenanthridinium Derivatives as Dna Binding Agents DNA2, DDB1, TOP2B ALDH1A1 1449/4885HSD17B10 2492/4885MEN1 1365/4885

“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.