Sugi Predict

Sugi Predict / Compounds / SCHEMBL4903308

SCHEMBL4903308

SCHEMBL4903308

COc1ccc(I)c(C(=O)N(c2ccnc3ccc([N+](=O)[O-])cc23)C(C)N(C)C)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ KMT2A Q03164 6/20 0.38
▸ MAPT P10636 5/20 0.38
▸ MEN1 O00255 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 4/20 0.36
▸ PDGFRA P16234 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ GAK O14976 1/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ STK16 O75716 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ BMP2K Q9NSY1 1/20 0.34

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
SCHEMBL4910912 0.93 MAPT (0.38) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL4913714 0.84 SMN1; SMN2 (0.36) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL4903312 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTMEN1KDM4E
Dimethylamine SCHEMBL4903324 0.82 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL4910918 0.77 PDGFRA (0.36) ALDH1A1KMT2AMAPTMEN1KDM4E
Dimethylamine SCHEMBL4910924 0.75 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL4911501 0.73 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL15910663 0.69 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL4913718 0.66 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4ESMN1; SMN2GAK
SCHEMBL4906843 0.65 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTMEN1KDM4E

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 1248/4885MAPT 4024/4885
US-20040102443-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B ALDH1A1 1476/4885KMT2A 1259/4885MAPT 4283/4885

“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.