SCHEMBL557775

SCHEMBL557775

O=C(O)CCCCCNc1c2ccccc2nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.65
RAD52 P43351 3/20 0.65
TOP2A P11388 4/20 0.61
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MITF O75030 1/20 0.59
LMNA P02545 1/20 0.59
TTR P02766 1/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 3/20 0.56
SLC2A1 P11166 2/20 0.56
NPC1 O15118 1/20 0.56
APOBEC3A P31941 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
CACNA2D1 P54289 1/20 0.56
MEN1 O00255 2/20 0.55
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL15867118 0.98 POLB (0.67) POLBRAD52TOP2ARAB9AALDH1A1
SCHEMBL3360006 0.87 POLB (0.67) POLBRAD52TOP2ARAB9AALDH1A1
SCHEMBL13856923 0.87 POLB (0.77) POLBRAD52RAB9AALDH1A1KDM4E
SCHEMBL6033155 0.87 POLB (0.77) POLBRAD52RAB9AALDH1A1KDM4E
SCHEMBL5578493 0.85 POLB (0.79) POLBRAD52RAB9AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL18334834 0.84 POLB (0.72) POLBRAD52RAB9AALDH1A1KDM4E
SCHEMBL15867121 0.84 POLB (0.63) POLBRAD52TOP2ARAB9AALDH1A1
SCHEMBL27513252 0.83 TOP2A (0.54) POLBRAD52TOP2ARAB9AALDH1A1
SCHEMBL15867120 0.83 POLB (0.87) POLBRAD52RAB9AALDH1A1KDM4E
SCHEMBL28307696 0.82 BCHE (0.81) SLC2A1BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090640-B2 Targeted delivery and prodrug designs for platinum-acridine anti-cancer compounds and methods thereof WAKE FOREST UNIVERSITY 2015-07-28 US disclosed
US-20140193334-A1 Targeted Delivery and Prodrug Designs for Platinum-Acridine Anti-Cancer Compounds and Methods Thereof WAKE FOREST UNIVERSITY 2014-07-10 US disclosed
US-20120035320-A1 POLYACRIDINE NUCLEIC ACID DELIVERY PEPTIDE COMPLEXES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2012-02-09 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
EP-0968309-B1 METHOD FOR DETERMINING A NUCLEIC ACID GEORGIA TECH RES INST (US) 2004-10-13 EP disclosed
US-6225052-B1 HYBRIDIZING NUCLEIC ACID TO SYNTHETIC HYBRIDIZATION PROBE WHICH HAS NON-NATURAL BACKBONE AND WHICH IS LABELED WITH ELECTRON DONOR AND/OR ELECTRON ACCEPTOR, THEN ACTIVATING AND DETECTING ELECTRON TRANSFER ROCHE DIAGNOSTICS GMBH (DE) 2001-05-01 US disclosed
US-6117973-A PEPTIDE NUCLEIC ACID MONOMERS; FOR USE AS PROBES TO DETECT NUCLEIC ACIDS GEORGIA TECH RESEARCH CORP. (US) 2000-09-12 US disclosed
EP-0968309-A2 METHOD FOR DETERMINING A NUCLEIC ACID GEORGIA TECH RESEARCH CORPORATION (US) 2000-01-05 EP disclosed
WO-1998037232-A2 METHOD FOR DETERMINING A NUCLEIC ACID GEORGIA TECH RESEARCH CORPORATION (US) 1998-08-27 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 (4 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-20120035320-A1 POLYACRIDINE NUCLEIC ACID DELIVERY PEPTIDE COMPLEXES NUP205, PABPC1, SARNP POLB 102/4885RAD52 1538/4885TOP2A 769/4885
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A POLB 469/4885RAD52 4644/4885TOP2A 1167/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 POLB 249/4885RAD52 4762/4885TOP2A 1871/4885
US-20140193334-A1 Targeted Delivery and Prodrug Designs for Platinum-Acridine Anti-Cancer Compounds and Methods Thereof ERBB3, EGFR, ESR1 POLB 4366/4885RAD52 2529/4885TOP2A 226/4885

“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.