SCHEMBL5335787

SCHEMBL5335787

COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nccn3C)cn2C)cn1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.50
KDM4E B2RXH2 3/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 2/20 0.43
P2RY12 Q9H244 1/20 0.43
GRM1 Q13255 4/20 0.43
GRM4 Q14833 6/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
NTRK1 P04629 1/20 0.40
KDR P35968 1/20 0.38
HRAS P01112 1/20 0.38
ESR1 P03372 1/20 0.38
TOP1 P11387 1/20 0.38
ESR2 Q92731 1/20 0.38
PRKCA P17252 1/20 0.38
NR3C1 P04150 2/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL12934351 0.97 NAMPT (0.52) NAMPTKDM4EPOLBMAPTP2RY12
SCHEMBL24630353 0.91 NAMPT (0.43) NAMPTKDM4EPOLBMAPTP2RY12
SCHEMBL6433630 0.89 NAMPT (0.45) NAMPTKDM4EPOLBMAPTP2RY12
SCHEMBL20485621 0.87 NAMPT (0.52) NAMPTKDM4EPOLBMAPTP2RY12
SCHEMBL12256120 0.86 NAMPT (0.51) NAMPTKDM4EPOLBMAPTP2RY12
SCHEMBL12256158 0.86 NAMPT (0.53) NAMPTKDM4EPOLBMAPTGRM1
SCHEMBL14072164 0.85 P2RY12 (0.51) NAMPTKDM4EPOLBMAPTP2RY12
SCHEMBL2072460 0.84 NAMPT (0.54) NAMPTKDM4EPOLBMAPTGRM1
SCHEMBL13682849 0.84 NAMPT (0.52) NAMPTKDM4EPOLBMAPTP2RY12
SCHEMBL12256163 0.84 NAMPT (0.49) NAMPTKDM4EPOLBMAPTGRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350145-B1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL UNIV TEXAS (US) 2020-09-16 EP disclosed
US-10358439-B2 DNA binding agents with a minor groove binding tail BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-07-23 US disclosed
US-10358439-B2 DNA binding agents with a minor groove binding tail BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-07-23 US disclosed
US-20180251454-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-09-06 US disclosed
WO-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 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-10358439-B2 DNA binding agents with a minor groove binding tail TOP2B, TOP2A, TOP1 NAMPT 3361/4885KDM4E 4024/4885POLB 9/4885
US-20180251454-A1 DNA BINDING AGENTS WITH A MINOR GROOVE BINDING TAIL TOP2B, TOP2A, TOP1 NAMPT 3361/4885KDM4E 4024/4885POLB 9/4885

“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.