SCHEMBL4367408

SCHEMBL4367408

O=C(O)c1cc(Nc2nc(/C=C/c3ccc([N+](=O)[O-])o3)nc3cc(F)c(N4CCOCC4)cc23)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
GAA P10253 6/20 0.38
ALDH1A1 P00352 9/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MITF O75030 2/20 0.36
HTT P42858 4/20 0.36
LMNA P02545 4/20 0.36
KDM4E B2RXH2 3/20 0.36
TSHR P16473 2/20 0.36
CSNK2A1 P68400 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
AKR1C3 P42330 1/20 0.34

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
SCHEMBL4367413 1.00 MAPT (0.40) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL4361528 0.89 ALDH1A1 (0.44) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL4361527 0.89 ALDH1A1 (0.44) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL4375392 0.87 LCK (0.46) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL4375393 0.87 LCK (0.46) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL4369449 0.86 MAPT (0.40) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL4369446 0.86 MAPT (0.40) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL4375422 0.86 ALDH1A1 (0.44) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL4375416 0.86 ALDH1A1 (0.44) MAPTRAB9ANPC1GAAALDH1A1
SCHEMBL4887367 0.84 LCK (0.42) MAPTRAB9ANPC1ALDH1A1MEN1

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 MAPT 4864/4885RAB9A 1810/4885NPC1 484/4885

“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.