Sugi Predict

Sugi Predict / Compounds / SCHEMBL4906843

SCHEMBL4906843

SCHEMBL4906843

COc1ccc(I)c(C(=O)N(CCN(C)C)c2ccnc3c([N+](=O)[O-])cccc23)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPT P10636 9/20 0.34
▸ LMNA P02545 6/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ HTT P42858 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MITF O75030 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
Dimethylamine SCHEMBL4906846 0.88 MAPT (0.37) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL4906840 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL4913718 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AL3MBTL1SMN1; SMN2
SCHEMBL4903312 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4910918 0.82 PDGFRA (0.36) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4907722 0.71 LMNA (0.37) ALDH1A1MEN1KMT2AMAPTLMNA
Dimethylamine SCHEMBL4903324 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AMAPT
Dimethylamine SCHEMBL4913721 0.70 SMN1; SMN2 (0.40) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL4910912 0.65 MAPT (0.38) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4903308 0.65 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2ATDP1

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 4 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-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
WO-2004014906-A2 NITRO AND AMINO SUBSTITUTED DIBENZONAPHTHYRIDINES AS TOPOISOMERASE AGENTS RUTGERS, THE STATE UNIVERSITY (US) 2004-02-19 — — 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-20080045538-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B ALDH1A1 2380/4885KDM4E 1064/4885MEN1 2744/4885
US-20040102443-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B ALDH1A1 1476/4885KDM4E 1450/4885MEN1 2473/4885

“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.