SCHEMBL4377434

SCHEMBL4377434

O=[N+]([O-])c1ccc(/C=C/c2nc(NC3CC3)c3ccc(F)cc3n2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.39
CASP6 P55212 2/20 0.38
KMT2A Q03164 8/20 0.38
POLB P06746 7/20 0.38
MEN1 O00255 7/20 0.38
MAPT P10636 5/20 0.38
NPC1 O15118 4/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 6/20 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
SCHEMBL4377437 1.00 JAK2 (0.39) JAK2CASP6KMT2APOLBMEN1
SCHEMBL4883463 0.95 JAK2 (0.38) JAK2CASP6KMT2APOLBMEN1
SCHEMBL13893471 0.95 JAK2 (0.38) JAK2CASP6KMT2APOLBMEN1
SCHEMBL4883481 0.95 JAK2 (0.38) JAK2CASP6KMT2APOLBMEN1
SCHEMBL4365949 0.83 MAPT (0.44) KMT2APOLBMEN1MAPTNPC1
SCHEMBL4365944 0.83 MAPT (0.44) KMT2APOLBMEN1MAPTNPC1
SCHEMBL14167757 0.82 JAK2 (0.40) JAK2CYP1A2CYP3A4CYP2D6
SCHEMBL4886840 0.82 EHMT2 (0.40) KMT2APOLBMEN1MAPTNPC1
SCHEMBL4886854 0.82 EHMT2 (0.40) KMT2APOLBMEN1MAPTNPC1
SCHEMBL4363239 0.82 KMT2A (0.46) CASP6KMT2APOLBMEN1MAPT

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 JAK2 3172/4885CASP6 2668/4885KMT2A 3390/4885

“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.