Sugi Predict

Sugi Predict / Compounds / SCHEMBL4906853

SCHEMBL4906853

SCHEMBL4906853

COc1cc2c(=O)n(CCN(C)C)c3c(cnc4cccc([N+](=O)[O-])c43)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.51
▸ JAK2 O60674 3/20 0.50
▸ JAK1 P23458 3/20 0.50
▸ TYK2 P29597 3/20 0.50
▸ JAK3 P52333 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ DRD3 P35462 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
SCHEMBL4913737 0.87 TDP1 (0.55) TDP1JAK2JAK1TYK2JAK3
SCHEMBL4915401 0.85 TDP1 (0.54) TDP1JAK2JAK1TYK2JAK3
SCHEMBL3087113 0.81 TDP1 (0.64) TDP1JAK2JAK1TYK2JAK3
SCHEMBL4913069 0.81 JAK2 (0.55) TDP1JAK2JAK1TYK2JAK3
SCHEMBL4910476 0.81 TDP1 (0.58) TDP1JAK2JAK1TYK2JAK3
SCHEMBL4910952 0.76 TDP1 (0.58) TDP1JAK2JAK1TYK2JAK3
SCHEMBL4911679 0.75 TDP1 (0.62) TDP1JAK2JAK1TYK2JAK3
SCHEMBL4916047 0.75 TDP1 (0.59) TDP1JAK2JAK1TYK2JAK3
SCHEMBL10083819 0.75 TDP1 (0.58) TDP1JAK2JAK1TYK2JAK3
SCHEMBL5875865 0.73 TDP1 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045538-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-02-21 — — US disclosed
US-20080045538-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-02-21 — — US disclosed
US-20080045538-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2008-02-21 — — US disclosed
US-6992089-B2 Nitro and amino substituted topoisomerase agents RUTGERS, THE UNIVERSITY OF NEW JERSEY (US) 2006-01-31 — — US disclosed
US-20040102443-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-05-27 — — 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 (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-20080045538-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B TDP1 6/4885JAK2 2554/4885JAK1 2453/4885
US-20040102443-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B TDP1 4/4885JAK2 2690/4885JAK1 1162/4885

“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.