SCHEMBL4883432

SCHEMBL4883432

O=[N+]([O-])c1ccc(C=Cc2nc(NCc3cccnc3)c3ccc(F)cc3n2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 4/20 0.39
CYP2C19 P33261 4/20 0.39
POLB P06746 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4368998 1.00 PDE5A (0.49) PDE5AMEN1KMT2AATMLMNA
SCHEMBL4373849 0.87 LCK (0.40) PDE5AMEN1KMT2ALMNAALDH1A1
SCHEMBL4373853 0.87 LCK (0.40) PDE5AMEN1KMT2ALMNAALDH1A1
SCHEMBL14167928 0.85 PDE5A (0.50) PDE5AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL4365944 0.84 MAPT (0.44) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL4365949 0.84 MAPT (0.44) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL4368286 0.81 ABCG2 (0.41) PDE5AMEN1KMT2ALMNAALDH1A1
SCHEMBL4368278 0.81 ABCG2 (0.41) PDE5AMEN1KMT2ALMNAALDH1A1
SCHEMBL4377434 0.77 JAK2 (0.39) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL4377437 0.77 JAK2 (0.39) MEN1KMT2ALMNAALDH1A1CYP1A2

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 PDE5A 3483/4885MEN1 1271/4885KMT2A 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.