SCHEMBL5875907

SCHEMBL5875907

CN(C)CCn1c(=O)c2ccccc2c2cnc3cc4c(cc3c21)OCO4

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.52
JAK2 O60674 2/20 0.50
JAK1 P23458 2/20 0.50
TYK2 P29597 2/20 0.50
JAK3 P52333 2/20 0.50
TOP1 P11387 1/20 0.46
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MTOR P42345 1/20 0.40
TOP2A P11388 1/20 0.39
MPO P05164 1/20 0.38
HAVCR2 Q8TDQ0 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5875897 0.88 TDP1 (0.53) TDP1JAK2JAK1TYK2JAK3
SCHEMBL5875791 0.88 TDP1 (0.53) TDP1JAK2JAK1TYK2JAK3
SCHEMBL2757213 0.88 TDP1 (0.53) TDP1JAK2JAK1TYK2JAK3
SCHEMBL5875875 0.86 TDP1 (0.50) TDP1JAK2JAK1TYK2JAK3
SCHEMBL241242 0.85 TDP1 (0.69) TDP1JAK2JAK1TYK2JAK3
SCHEMBL29360706 0.85 TDP1 (0.69) TDP1JAK2JAK1TYK2JAK3
SCHEMBL5875889 0.85 JAK2 (0.53) TDP1JAK2JAK1TYK2JAK3
SCHEMBL5875739 0.85 JAK2 (0.57) TDP1JAK2JAK1TYK2JAK3
SCHEMBL12457094 0.84 TDP1 (0.56) TDP1JAK2JAK1TYK2JAK3
SCHEMBL25914829 0.84 TDP1 (0.72) TDP1JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989387-B2 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-01-24 US disclosed
US-20040110760-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-06-10 US 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-20040110760-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B TDP1 4/4885JAK2 2946/4885JAK1 1485/4885

“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.