SCHEMBL4907722

SCHEMBL4907722

COc1cc(I)c(C(=O)N(CCN(C)C)c2ccnc3cccc([N+](=O)[O-])c23)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
POLB P06746 1/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
RAD52 P43351 1/20 0.34
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34
CHRM2 P08172 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
SCHEMBL4911505 0.72 ALDH1A1 (0.40) POLBABL1RIN1MAPTALDH1A1
SCHEMBL4906843 0.71 ALDH1A1 (0.36) LMNAPOLBSMN1; SMN2MAPTL3MBTL1
SCHEMBL240763 0.69 KMT2A (0.42) LMNAPOLBSMN1; SMN2MAPTMEN1
SCHEMBL4910918 0.68 PDGFRA (0.36) LMNASMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL4903312 0.68 ALDH1A1 (0.39) LMNAPOLBSMN1; SMN2MAPTL3MBTL1
SCHEMBL5314212 0.68 POLB (0.42) POLBMAPTL3MBTL1MEN1KMT2A
SCHEMBL13163275 0.67 HTR2C (0.41) LMNAPOLBABL1RIN1SMN1; SMN2
SCHEMBL4913718 0.66 ALDH1A1 (0.39) POLBABL1RIN1SMN1; SMN2L3MBTL1
SCHEMBL4986665 0.64 GABRA1 (0.40) LMNAPOLBSMN1; SMN2MAPTMEN1
SCHEMBL4910393 0.64 ADRA1A (0.51) POLBSMN1; SMN2MEN1KMT2AALDH1A1

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 LMNA 951/4885CASP3 1287/4885SENP8 3333/4885
US-20040102443-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B LMNA 1451/4885CASP3 1260/4885SENP8 3678/4885

“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.