SCHEMBL4375392

SCHEMBL4375392

O=[N+]([O-])c1ccc(/C=C/c2nc(Nc3cccc(O)c3)c3cc(N4CCOCC4)c(F)cc3n2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.46
LYN P07948 2/20 0.46
SRC P12931 2/20 0.46
CSK P41240 2/20 0.46
BTK Q06187 2/20 0.46
PTK6 Q13882 2/20 0.46
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 5/20 0.39
POLB P06746 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MITF O75030 2/20 0.39
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4375393 1.00 LCK (0.46) LCKLYNSRCCSKBTK
SCHEMBL4361527 0.92 ALDH1A1 (0.44) LCKLYNSRCCSKBTK
SCHEMBL4361528 0.92 ALDH1A1 (0.44) LCKLYNSRCCSKBTK
SCHEMBL4375416 0.89 ALDH1A1 (0.44) LCKLYNSRCCSKBTK
SCHEMBL4375422 0.89 ALDH1A1 (0.44) LCKLYNSRCCSKBTK
SCHEMBL4363290 0.88 PIK3CA (0.38) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL4363294 0.88 PIK3CA (0.38) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL4367408 0.87 MAPT (0.40) LCKLYNSRCCSKBTK
SCHEMBL4367413 0.87 MAPT (0.40) LCKLYNSRCCSKBTK
SCHEMBL14167548 0.87 KMT2A (0.39) LCKLYNSRCCSKBTK

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
WO-2009046536-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2009-04-16 WO disclosed
WO-2009046536-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2009-04-16 WO disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 US disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 US 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-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS HRH3, HRH1, NQO2 LCK 4250/4885LYN 3978/4885SRC 3920/4885

“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.