SCHEMBL5875749

SCHEMBL5875749

CC(N(C)C)N(C(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccnc2cc3c(cc12)OCO3

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 3/20 0.35
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 6/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 4/20 0.32
HTT P42858 3/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL5875809 0.93 MAPT (0.36) MAPTKMT2AMEN1POLBRAB9A
SCHEMBL5875886 0.84 HPGD (0.35) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL5875754 0.83 RAD52 (0.42) MAPTKMT2AMEN1POLBRAB9A
SCHEMBL5875891 0.78 GABRA1 (0.36) MAPTKMT2AMEN1POLBRAB9A
SCHEMBL238448 0.77 ALDH1A1 (0.37) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5875813 0.76 RAD52 (0.41) MAPTKMT2AMEN1POLBRAB9A
SCHEMBL5875888 0.67 RAD52 (0.40) MAPTKMT2AMEN1POLBRAB9A
SCHEMBL242600 0.67 ALDH1A1 (0.36) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL4903308 0.66 ALDH1A1 (0.39) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL7225925 0.62 L3MBTL1 (0.51) MAPTKMT2AMEN1GAANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6989387-B2 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-01-24 US disclosed
US-20040110760-A1 Nitro and amino substituted topoisomerase agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-06-10 US disclosed
WO-2004014918-A1 NITRO AND AMINO SUBSTITUTED 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 (1 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-20040110760-A1 Nitro and amino substituted topoisomerase agents TOP1, TOP2A, TOP2B MAPT 4360/4885KMT2A 1207/4885MEN1 2211/4885

“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.