SCHEMBL4369449

SCHEMBL4369449

CC(=O)Nc1ccc(Nc2nc(C=Cc3ccc([N+](=O)[O-])o3)nc3cc(F)c(N4CCOCC4)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 3/20 0.40
MOK Q9UQ07 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 3/20 0.39
JAK2 O60674 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SRC P12931 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MITF O75030 1/20 0.36

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
SCHEMBL4369446 1.00 MAPT (0.40) MAPTALDH1A1RAB9AMOKGAA
SCHEMBL4361527 0.91 ALDH1A1 (0.44) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL4361528 0.91 ALDH1A1 (0.44) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL4362857 0.89 MAPT (0.46) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4362862 0.89 MAPT (0.46) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4375416 0.88 ALDH1A1 (0.44) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL4375422 0.88 ALDH1A1 (0.44) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL14167962 0.87 MOK (0.41) MAPTALDH1A1MOKGAAJAK2
SCHEMBL4747996 0.86 MAPT (0.37) MAPTALDH1A1RAB9AGAASMN1; SMN2
SCHEMBL4367408 0.86 MAPT (0.40) MAPTALDH1A1RAB9AGAASMN1; SMN2

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 2 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

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 MAPT 4864/4885ALDH1A1 1414/4885RAB9A 1810/4885

“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.