SCHEMBL4887342

SCHEMBL4887342

O=[N+]([O-])c1ccc(/C=C/c2nc(Nc3ccc(O)cc3)c3cc(F)c(OCCN4CCOCC4)cc3n2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.44
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RET P07949 2/20 0.38
SRC P12931 2/20 0.38
ERBB2 P04626 2/20 0.38
BMPR1B O00238 1/20 0.38
CIT O14578 1/20 0.38
MAP2K7 O14733 1/20 0.38
GAK O14976 1/20 0.38
EPHB6 O15197 1/20 0.38
MAP3K7 O43318 1/20 0.38
RIPK2 O43353 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
SCHEMBL4365493 1.00 EGFR (0.44) EGFRMEN1NPC1MITFALDH1A1
SCHEMBL14164378 0.88 EGFR (0.42) EGFRRETSRCERBB2BMPR1B
SCHEMBL4375416 0.86 ALDH1A1 (0.44) MEN1NPC1MITFALDH1A1POLB
SCHEMBL4375422 0.86 ALDH1A1 (0.44) MEN1NPC1MITFALDH1A1POLB
SCHEMBL4361524 0.85 EGFR (0.38) EGFRMEN1NPC1MITFALDH1A1
SCHEMBL4886774 0.85 EGFR (0.38) EGFRMEN1NPC1MITFALDH1A1
SCHEMBL4361527 0.83 ALDH1A1 (0.44) MEN1NPC1MITFALDH1A1POLB
SCHEMBL4361528 0.83 ALDH1A1 (0.44) MEN1NPC1MITFALDH1A1POLB
SCHEMBL4543948 0.81 ALDH1A1 (0.40) EGFRMEN1NPC1MITFALDH1A1
SCHEMBL4373856 0.81 ALDH1A1 (0.40) EGFRMEN1NPC1MITFALDH1A1

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
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
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 EGFR 3811/4885MEN1 1271/4885NPC1 484/4885

“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.