SCHEMBL4886774

SCHEMBL4886774

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 3/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HSP90AA1 P07900 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL4361524 1.00 EGFR (0.38) EGFRKMT2AMEN1NPC1LMNA
SCHEMBL13893467 0.85 FLT3 (0.39) EGFRKMT2AMEN1NPC1LMNA
SCHEMBL4365493 0.85 EGFR (0.44) EGFRKMT2AMEN1NPC1POLB
SCHEMBL4887342 0.85 EGFR (0.44) EGFRKMT2AMEN1NPC1POLB
SCHEMBL4876145 0.84 MAOB (0.38) EGFRKMT2AMEN1NPC1LMNA
SCHEMBL4372188 0.84 MAOB (0.38) EGFRKMT2AMEN1NPC1LMNA
SCHEMBL4377457 0.83 MAPT (0.39) KMT2AMEN1NPC1LMNAPOLB
SCHEMBL4886302 0.83 MAPT (0.39) KMT2AMEN1NPC1LMNAPOLB
SCHEMBL4364482 0.82 NPC1 (0.43) KMT2AMEN1NPC1LMNAPOLB
SCHEMBL4369481 0.80 MAPT (0.39) KMT2AMEN1NPC1LMNAPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3811/4885KMT2A 3390/4885MEN1 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.