SCHEMBL2503500

SCHEMBL2503500

CCOC(=O)CCCNc1c(CC)ccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.66
PDE5A O76074 1/20 0.53
ELANE P08246 1/20 0.53
TNF P01375 1/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
POLB P06746 1/20 0.44
RAD52 P43351 1/20 0.44
KMT2A Q03164 1/20 0.44
UHRF1 Q96T88 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CNR1 P21554 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 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
SCHEMBL11312355 0.83 TOP2A (0.61) TOP2APDE5AELANECYP3A4CYP2D6
SCHEMBL11325006 0.79 NLRP3 (0.58) TOP2APDE5AELANECYP3A4CYP2D6
SCHEMBL2498217 0.79 TOP2A (0.56) TOP2APDE5AELANECYP3A4CYP2D6
SCHEMBL7537296 0.79 TOP2A (0.63) TOP2APDE5AELANETNFCYP3A4
SCHEMBL28667127 0.77 TOP2A (0.58) TOP2APDE5AELANETNFCYP2C19
SCHEMBL23367961 0.76 KDM4E (0.43) PDE5AELANECYP3A4CYP2D6CYP2C19
SCHEMBL22945078 0.76 TOP2A (0.57) TOP2APDE5AELANETNFCYP2C19
SCHEMBL27674003 0.76 CYP4F2 (0.65) TOP2ATNFCYP3A4CYP2D6CYP2C19
SCHEMBL11311241 0.76 TOP2A (0.63) TOP2APDE5AELANECYP3A4CYP2D6
SCHEMBL10905069 0.75 SLC2A1 (0.45) TOP2APOLBRAD52KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637658-B2 Non-fluorescent quencher compounds and biomolecular assays APPLIED BIOSYSTEMS, LLC (US) 2014-01-28 US disclosed
US-20130123475-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2013-05-16 US disclosed
US-20120220751-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2012-08-30 US disclosed
US-20110245462-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays Life Technologies Corporation (US) 2011-10-06 US disclosed
US-20090105452-A1 NON-FLUORESCENT QUENCHER COMPOUNDS AND BIOMOLECULAR ASSAYS APPLERA CORPORATION (US) 2009-04-23 US disclosed
US-20050164225-A1 Non-fluorescent quencher compounds and biomolecular assays APPLIED BIOSYSTEMS, LLC 2005-07-28 US disclosed
US-20040005607-A1 Non-fluorescent quencher compounds and biomolecular assays APPLIED BIOSYSTEMS, LLC 2004-01-08 US disclosed
US-20030082547-A1 Non-fluorescent quencher compounds and biomolecular assays APPLIED BIOSYSTEMS, LLC 2003-05-01 US disclosed
WO-2003019145-A2 NON-FLUORESCENT QUENCHER COMPOUNDS AND BIOMOLECULAR ASSAYS APPLERA CORPORATION (US) 2003-03-06 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 (7 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-20050164225-A1 Non-fluorescent quencher compounds and biomolecular assays DNTT, PNP, NT5C2 TOP2A 2356/4885PDE5A 3697/4885ELANE 1262/4885
US-20130123475-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays DNTT, PNP, NT5C2 TOP2A 2366/4885PDE5A 3865/4885ELANE 1291/4885
US-20030082547-A1 Non-fluorescent quencher compounds and biomolecular assays DNTT, PNP, NT5C2 TOP2A 2132/4885PDE5A 3792/4885ELANE 1393/4885
US-20090105452-A1 NON-FLUORESCENT QUENCHER COMPOUNDS AND BIOMOLECULAR ASSAYS DNTT, PNP, NT5C2 TOP2A 2366/4885PDE5A 3865/4885ELANE 1291/4885
US-20040005607-A1 Non-fluorescent quencher compounds and biomolecular assays DNTT, PNP, NT5C2 TOP2A 2132/4885PDE5A 3792/4885ELANE 1393/4885
US-20110245462-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays DNTT, PNP, NT5C2 TOP2A 2366/4885PDE5A 3865/4885ELANE 1291/4885
US-20120220751-A1 Non-Fluorescent Quencher Compounds and Biomolecular Assays DNTT, PNP, NT5C2 TOP2A 2366/4885PDE5A 3865/4885ELANE 1291/4885

“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.