SCHEMBL4367131

SCHEMBL4367131

COc1ccc(Nc2nc(/C=C/c3ccc([N+](=O)[O-])o3)nc3cc(F)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
NQO2 P16083 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABCG2 Q9UNQ0 5/20 0.41
FLT3 P36888 3/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
LYN P07948 1/20 0.40
SRC P12931 1/20 0.40
CSK P41240 1/20 0.40
BTK Q06187 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TYMS P04818 1/20 0.38
HNF4A P41235 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
SCHEMBL4367136 1.00 PTGS2 (0.49) PTGS2NQO2MEN1KMT2AGAA
SCHEMBL4363239 0.88 KMT2A (0.46) PTGS2MEN1KMT2AGAAMAPT
SCHEMBL4363237 0.88 KMT2A (0.46) PTGS2MEN1KMT2AGAAMAPT
SCHEMBL4745918 0.88 LCK (0.36) PTGS2NQO2MEN1KMT2AMAPT
SCHEMBL4745921 0.88 LCK (0.36) PTGS2NQO2MEN1KMT2AMAPT
SCHEMBL4365886 0.87 KDM1A (0.47) MEN1KMT2AMAPTFLT3LCK
SCHEMBL4365890 0.87 KDM1A (0.47) MEN1KMT2AMAPTFLT3LCK
SCHEMBL4362862 0.83 MAPT (0.46) PTGS2NQO2MEN1KMT2AMAPT
SCHEMBL4362857 0.83 MAPT (0.46) PTGS2NQO2MEN1KMT2AMAPT
SCHEMBL14168129 0.83 PTGS2 (0.51) PTGS2MEN1KMT2AABCG2FLT3

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 PTGS2 3323/4885NQO2 3/4885MEN1 1271/4885

“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.