SCHEMBL6777520

SCHEMBL6777520

COC(=O)c1ccc2nc3ccccc3c(NCCC(=O)O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.56
POLB P06746 5/20 0.51
RAD52 P43351 4/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.48
TTR P02766 2/20 0.48
GLA P06280 2/20 0.48
RAB9A P51151 2/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48
SIRT5 Q9NXA8 2/20 0.47
PDE10A Q9Y233 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 3/20 0.44
GSR P00390 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL27534825 0.93 TOP2A (0.58) TOP2APOLBRAD52KDM4EALDH1A1
SCHEMBL27513252 0.92 TOP2A (0.54) TOP2APOLBRAD52KDM4EALDH1A1
SCHEMBL3360006 0.83 POLB (0.67) TOP2APOLBRAD52KDM4EALDH1A1
SCHEMBL28021793 0.78 TOP2A (0.77) TOP2APOLBRAD52KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27538864 0.77 TOP2A (0.75) TOP2APOLBRAD52KDM4EALDH1A1
Hydrochloric Acid SCHEMBL27513613 0.77 TOP2A (0.75) TOP2APOLBRAD52KDM4EALDH1A1
SCHEMBL15298610 0.76 TOP2A (0.58) TOP2APOLBRAD52KDM4EALDH1A1
SCHEMBL6782090 0.76 POLB (0.60) POLBKDM4EALDH1A1GAARAB9A
SCHEMBL11060672 0.76 KDM4E (0.51) POLBRAD52KDM4EALDH1A1GAA
SCHEMBL15867898 0.75 POLB (0.59) TOP2APOLBRAD52KDM4EALDH1A1

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
CN-101676268-B Frangible compounds for pathogen inactivation CERUS CORP 2013-09-25 CN disclosed
CN-1248245-B Friable compounds for pathogen inactivation CERUS CORP 2012-07-04 CN disclosed
CN-101676268-A frangible compounds for pathogen inactivation CERUS CORP 2010-03-24 CN disclosed
US-20040029897-A1 Frangible compounds for pathogen inactivation CERUS CORPORATION (US) 2004-02-12 US disclosed
EP-1364944-A1 Frangible Compounds for Pathogen Inactivation Cerus Corporation (US) 2003-11-26 EP disclosed
EP-1021414-B1 FRANGIBLE COMPOUNDS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2003-06-18 EP disclosed
US-6514987-B1 Useful for inactivating pathogens in a material, such as a blood product, and then degrades to breakdown products CERUS CORPORATION 2003-02-04 US disclosed
CN-1270630-A Method of treating leukocytes, leukocyte compositions and methods of use thereof CERUS CORP (US) 2000-10-18 CN disclosed
EP-1021414-A1 FRANGIBLE COMPOUNDS FOR PATHOGEN INACTIVATION Cerus Corporation (US) 2000-07-26 EP disclosed
US-6093725-A A BINDER FOR DEACTIVATING PATHOGENS IN A BLOOD SAMPLE TO BIND NUCLEIC ACID BY COVALENT LINKAGE CERUS CORPORATION (US) 2000-07-25 US disclosed
WO-1998030545-A9 FRANGIBLE COMPOUNDS FOR PATHOGEN INACTIVATION 1998-12-30 WO disclosed
WO-1998030545-A1 FRANGIBLE COMPOUNDS FOR PATHOGEN INACTIVATION CERUS CORPORATION (US) 1998-07-16 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 (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-20040029897-A1 Frangible compounds for pathogen inactivation TIAL1, PRF1, DNASE1 TOP2A 1045/4885POLB 70/4885RAD52 177/4885

“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.