SCHEMBL4361547

SCHEMBL4361547

Nc1cc(F)c(N2CCOCC2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HPGD P15428 5/20 0.52
KDM4E B2RXH2 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
TSHR P16473 3/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 3/20 0.45
GAA P10253 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL2314955 0.84 ALDH1A1 (0.57) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL4373425 0.82 ALDH1A1 (0.52) ALDH1A1HPGDKDM4ECYP1A2CYP2C19
SCHEMBL29744988 0.81 LGMN (0.51) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL2311204 0.81 LGMN (0.51) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL518889 0.79 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL5464604 0.79 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL4369603 0.78 MAPT (0.64) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL24196340 0.76 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL29300840 0.75 ALDH1A1 (0.47) ALDH1A1HPGDKDM4ECYP1A2CYP3A4
SCHEMBL23759790 0.75 ALDH1A1 (0.61) ALDH1A1HPGDKDM4ECYP1A2CYP3A4

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 7 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
WO-2008113161-A1 PHOSPHATE PRODRUGS OF QUINAZOLINYL NITROFURANS, METHODS OF OBTAINING, AND USE OF SAME ULYSSES PHARMACEUTICAL PRODUCTS INC. (CA) 2008-09-25 WO disclosed
WO-2008113161-A1 PHOSPHATE PRODRUGS OF QUINAZOLINYL NITROFURANS, METHODS OF OBTAINING, AND USE OF SAME ULYSSES PHARMACEUTICAL PRODUCTS INC. (CA) 2008-09-25 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
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 1414/4885HPGD 2181/4885KDM4E 3381/4885

“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.