Sugi Predict

Sugi Predict / Compounds / SCHEMBL4906840

SCHEMBL4906840

SCHEMBL4906840

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.36
▸ KMT2A Q03164 8/20 0.36
▸ MEN1 O00255 7/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPT P10636 10/20 0.34
▸ LMNA P02545 6/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ GAA P10253 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CTSB P07858 3/20 0.34
▸ HTT P42858 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 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
SCHEMBL4906843 0.83 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL4913714 0.82 SMN1; SMN2 (0.36) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL4910912 0.82 MAPT (0.38) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL4903308 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1KDM4ETDP1
Dimethylamine SCHEMBL4906846 0.82 MAPT (0.37) ALDH1A1KMT2AMEN1KDM4ETDP1
SCHEMBL4903312 0.65 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL4913718 0.65 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EL3MBTL1SMN1; SMN2
Dimethylamine SCHEMBL4903324 0.63 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL2469901 0.63 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1KDM4ETDP1
Dimethylamine SCHEMBL4913721 0.63 SMN1; SMN2 (0.40) ALDH1A1KMT2AMEN1KDM4ETDP1

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 2380/4885KMT2A 1248/4885MEN1 2744/4885
US-20040102443-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B ALDH1A1 1476/4885KMT2A 1259/4885MEN1 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.