SCHEMBL4369481

SCHEMBL4369481

O=[N+]([O-])c1ccc(C=Cc2nc(Cl)c3cc(N4CCOCC4)c(F)cc3n2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
ALDH1A1 P00352 9/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 8/20 0.39
MEN1 O00255 7/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
RAB9A P51151 4/20 0.39
GAA P10253 2/20 0.39
POLB P06746 7/20 0.39
HTT P42858 5/20 0.39
NPSR1 Q6W5P4 5/20 0.39
LMNA P02545 4/20 0.39
NPC1 O15118 4/20 0.39
HSP90AA1 P07900 2/20 0.39
MITF O75030 3/20 0.36
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4369479 1.00 MAPT (0.39) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4377457 0.96 MAPT (0.39) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4886302 0.96 MAPT (0.39) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4365985 0.90 MAPT (0.43) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4882703 0.90 MAPT (0.43) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4885269 0.87 MAPT (0.43) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4365904 0.87 MAPT (0.43) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4886427 0.85 MAPT (0.36) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4886420 0.85 MAPT (0.36) MAPTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4367067 0.85 MAPT (0.36) MAPTALDH1A1CYP1A2CYP3A4CYP2D6

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 1414/4885CYP1A2 284/4885

“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.