SCHEMBL3655441

SCHEMBL3655441

O=c1[nH]c(-c2c(F)ccc(O)c2F)no1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
DHODH Q02127 1/20 0.35
XDH P47989 2/20 0.35
SLC22A12 Q96S37 1/20 0.35
ALOX5 P09917 1/20 0.35
RARB P10826 1/20 0.34
ADH5 P11766 1/20 0.33
PARP1 P09874 1/20 0.33
KMO O15229 1/20 0.33
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLA2G2A P14555 2/20 0.31
GRIK1 P39086 1/20 0.31

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
SCHEMBL26898524 0.75 DHODH (0.40) ALDH1A1DHODHALOX5RARBADH5
SCHEMBL27021641 0.72 ALDH1A1 (0.40) ALDH1A1DHODHALOX5RARBADH5
SCHEMBL1947351 0.69 DHODH (0.37) ALDH1A1DHODHALOX5RARBADH5
SCHEMBL18603139 0.69 ALDH1A1 (0.49) ALDH1A1ALOX5RARBADH5KMO
SCHEMBL26898475 0.69 DHODH (0.40) ALDH1A1DHODHALOX5RARBPARP1
SCHEMBL15479756 0.67 DHODH (0.48) ALDH1A1DHODHPARP1L3MBTL1
SCHEMBL2646013 0.66 ALDH1A1 (0.57) ALDH1A1XDHSLC22A12ALOX5RARB
SCHEMBL22273714 0.66 ALOX5 (0.63) ALDH1A1XDHSLC22A12ALOX5RARB
SCHEMBL27362952 0.65 ALDH1A1 (0.44) ALDH1A1DHODHRARBADH5PARP1
SCHEMBL26856096 0.64 THRB (0.43) ALDH1A1DHODHALOX5RARBKMO

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203219-B1 SUBSTITUTED BENZAMIDINES AS ANTIBACTERIAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2015-02-25 EP disclosed
EP-2203219-B1 SUBSTITUTED BENZAMIDINES AS ANTIBACTERIAL AGENTS BIOTA SCIENT MANAGEMENT (AU) 2015-02-25 EP disclosed
US-8415383-B2 Substituted benzamidines as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-04-09 US disclosed
US-8415383-B2 Substituted benzamidines as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-04-09 US disclosed
US-8415383-B2 Substituted benzamidines as antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-04-09 US disclosed
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-11-25 US disclosed
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-11-25 US disclosed
US-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-11-25 US disclosed
EP-2203219-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS Biota Europe Ltd (GB) 2010-07-07 EP disclosed
WO-2009040507-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2009-04-02 WO disclosed
WO-2009040507-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2009-04-02 WO 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-20100298388-A1 SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS ALK, CBR3, CBR1 ALDH1A1 626/4885DHODH 1164/4885XDH 145/4885

“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.