SCHEMBL3746477

SCHEMBL3746477

NC(=NO)c1c(F)ccc(OCc2nc3cc(Cl)ccc3s2)c1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
HDAC6 Q9UBN7 1/20 0.41
EPHX2 P34913 5/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX5 P09917 4/20 0.38
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
IDO1 P14902 1/20 0.35
AKR1B1 P15121 1/20 0.35
PPARA Q07869 2/20 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
SCHEMBL3746476 1.00 LOXL2 (0.45) LOXL2HDAC6EPHX2NPC1RAB9A
SCHEMBL3753440 0.89 LOXL2 (0.43) LOXL2HDAC6EPHX2NPC1RAB9A
SCHEMBL3753446 0.89 LOXL2 (0.43) LOXL2HDAC6EPHX2NPC1RAB9A
SCHEMBL2320663 0.88 HDAC6 (0.47) LOXL2HDAC6EPHX2NPC1RAB9A
SCHEMBL3656822 0.88 LOXL2 (0.47) LOXL2HDAC6EPHX2NPC1RAB9A
SCHEMBL3756541 0.85 EPHX2 (0.43) LOXL2HDAC6EPHX2NPC1RAB9A
SCHEMBL3756545 0.85 EPHX2 (0.43) LOXL2HDAC6EPHX2NPC1RAB9A
SCHEMBL15689757 0.84 HDAC6 (0.48) LOXL2HDAC6EPHX2NPC1RAB9A
SCHEMBL15689586 0.84 HDAC6 (0.51) LOXL2HDAC6EPHX2NPC1ALOX5
SCHEMBL204579 0.82 HDAC6 (0.46) LOXL2HDAC6EPHX2NPC1RAB9A

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 3 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
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

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 LOXL2 575/4885HDAC6 3087/4885EPHX2 2510/4885

“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.