SCHEMBL4372181

SCHEMBL4372181

O=[N+]([O-])c1ccc(C=Cc2nc(Nc3cccnc3)c3cc(F)c(N4CCOCC4)cc3n2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 8/20 0.36
ALDH1A1 P00352 7/20 0.36
LMNA P02545 4/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 4/20 0.36
HTT P42858 4/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
NPC1 O15118 4/20 0.35
CYP1A2 P05177 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4372173 1.00 PIK3CA (0.38) PIK3CARXFP1MAPTALDH1A1LMNA
SCHEMBL4363294 0.97 PIK3CA (0.38) PIK3CARXFP1MAPTALDH1A1LMNA
SCHEMBL4363290 0.97 PIK3CA (0.38) PIK3CARXFP1MAPTALDH1A1LMNA
SCHEMBL4880323 0.89 MAPT (0.37) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL4367091 0.89 MAPT (0.37) MAPTALDH1A1LMNAPOLBHTT
SCHEMBL4375422 0.87 ALDH1A1 (0.44) MAPTALDH1A1LMNAUSP2HPGD
SCHEMBL4375416 0.87 ALDH1A1 (0.44) MAPTALDH1A1LMNAUSP2HPGD
SCHEMBL14167895 0.87 PIK3CA (0.38) PIK3CAMAPTPOLBHTTKMT2A
SCHEMBL4361534 0.85 SLC6A9 (0.41) MAPTALDH1A1LMNAUSP2HPGD
SCHEMBL4375392 0.85 LCK (0.46) MAPTALDH1A1LMNAUSP2HPGD

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 PIK3CA 4279/4885RXFP1 1665/4885MAPT 4864/4885

“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.