SCHEMBL5065708

SCHEMBL5065708

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=NCCCN

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 19/20 0.75
KDM4E B2RXH2 3/20 0.60
RAB9A P51151 2/20 0.60
BLM P54132 2/20 0.60
RECQL P46063 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
ALDH1A1 P00352 3/20 0.60
GLA P06280 3/20 0.60
TP53 P04637 2/20 0.60
HPGD P15428 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
STAT6 P42226 1/20 0.60
CHEK1 O14757 1/20 0.60
HDAC3 O15379 1/20 0.60
ABCC4 O15439 1/20 0.60
GMNN O75496 1/20 0.60

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
SCHEMBL5058798 0.95 TOP1 (0.77) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL6086820 0.92 TOP1 (0.68) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL6087893 0.90 TOP1 (0.75) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL6087342 0.89 TOP1 (0.77) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL5065698 0.89 TOP1 (0.88) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL6087767 0.89 TOP1 (0.76) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL2929566 0.88 TOP1 (0.80) TOP1KDM4ERAB9ABLMRECQL
SCHEMBL26514712 0.88 TOP1 (0.80) TOP1KDM4ERAB9ABLMRECQL
Namitecan SCHEMBL24685130 0.87 TOP1 (0.85) TOP1KDM4ERAB9ABLMRECQL
Namitecan SCHEMBL29482428 0.87 TOP1 (0.85) TOP1KDM4ERAB9ABLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004083365-A9 COMPOUNDS AND THEIR USE FOR SPECIFIC AND SIMULTANEOUS INHIBITION OF GENES INVOLVED IN DISEASES AND RELATED DRUGS INST NAT SANTE RECH MED (FR) 2008-07-10 WO claimed
US-20080108581-A1 Compounds and Their Use for Specific and Simultaneous Inhibition of Genes Involved In Diseases and Related Drugs INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (I.N.S.E.R.M.) (FR) 2008-05-08 US claimed
WO-2004083365-A9 COMPOUNDS AND THEIR USE FOR SPECIFIC AND SIMULTANEOUS INHIBITION OF GENES INVOLVED IN DISEASES AND RELATED DRUGS INST NAT SANTE RECH MED (FR) 2008-07-10 WO disclosed
US-20080108581-A1 Compounds and Their Use for Specific and Simultaneous Inhibition of Genes Involved In Diseases and Related Drugs INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (I.N.S.E.R.M.) (FR) 2008-05-08 US disclosed
EP-1606405-A2 COMPOUNDS AND THEIR USE FOR SPECIFIC AND SIMULTANEOUS INHIBITION OF GENES INVOLVED IN DISEASES AND RELATED DRUGS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2005-12-21 EP disclosed
WO-2004083365-A2 COMPOUNDS AND THEIR USE FOR SPECIFIC AND SIMULTANEOUS INHIBITION OF GENES INVOLVED IN DISEASES AND RELATED DRUGS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2004-09-30 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-20080108581-A1 Compounds and Their Use for Specific and Simultaneous Inhibition of Genes Involved In Diseases and Related Drugs TOP2A, TOP1, TOP2B TOP1 2/4885KDM4E 2719/4885RAB9A 4620/4885

“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.