SCHEMBL4375416

SCHEMBL4375416

O=[N+]([O-])c1ccc(/C=C/c2nc(Nc3ccc(O)cc3)c3cc(F)c(N4CCOCC4)cc3n2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
MAPT P10636 9/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
RAB9A P51151 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 4/20 0.42
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
HSP90AA1 P07900 2/20 0.36
CSF1R P07333 1/20 0.36
USP2 O75604 1/20 0.36
LCK P06239 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
SCHEMBL4375422 1.00 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4361528 0.97 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4361527 0.97 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4373856 0.92 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4543948 0.92 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4361530 0.90 SLC6A9 (0.41) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4361534 0.90 SLC6A9 (0.41) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4375392 0.89 LCK (0.46) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4375393 0.89 LCK (0.46) ALDH1A1MAPTLMNAHTTGAA
SCHEMBL4887139 0.89 ALDH1A1 (0.40) ALDH1A1MAPTLMNAHTTGAA

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 ALDH1A1 1414/4885MAPT 4864/4885LMNA 3699/4885

“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.