SCHEMBL5875739

SCHEMBL5875739

CN(C)CCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.57
JAK1 P23458 3/20 0.57
TYK2 P29597 3/20 0.57
JAK3 P52333 3/20 0.57
TDP1 Q9NUW8 8/20 0.50
LMNA P02545 1/20 0.43
TOP1 P11387 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL5875889 0.96 JAK2 (0.53) JAK2JAK1TYK2JAK3TDP1
SCHEMBL5875791 0.85 TDP1 (0.53) JAK2JAK1TYK2JAK3TDP1
SCHEMBL5875907 0.85 TDP1 (0.52) JAK2JAK1TYK2JAK3TDP1
SCHEMBL5875865 0.82 TDP1 (0.47) JAK2JAK1TYK2JAK3TDP1
SCHEMBL5875897 0.81 TDP1 (0.53) JAK2JAK1TYK2JAK3TDP1
SCHEMBL2757213 0.81 TDP1 (0.53) JAK2JAK1TYK2JAK3TDP1
SCHEMBL241242 0.81 TDP1 (0.69) JAK2JAK1TYK2JAK3TDP1
SCHEMBL4913069 0.79 JAK2 (0.55) JAK2JAK1TYK2JAK3TDP1
SCHEMBL4910476 0.79 TDP1 (0.58) JAK2JAK1TYK2JAK3TDP1
SCHEMBL12457094 0.78 TDP1 (0.56) JAK2JAK1TYK2JAK3TDP1

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 JAK2 2946/4885JAK1 1485/4885TYK2 2998/4885

“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.