SCHEMBL3756547

SCHEMBL3756547

CN=C(NO)c1c(F)ccc(OCc2nc3cc(Cl)ccc3s2)c1F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.43
ALOX5 P09917 10/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
EPHA2 P29317 1/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
AKR1B1 P15121 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
SCHEMBL3756545 0.86 EPHX2 (0.43) EPHX2ALOX5LOXL2NPC1RAB9A
SCHEMBL3756541 0.86 EPHX2 (0.43) EPHX2ALOX5LOXL2NPC1RAB9A
SCHEMBL3746479 0.85 LOXL2 (0.43) EPHX2ALOX5LOXL2NPC1RAB9A
SCHEMBL15713544 0.83 EPHX2 (0.45) EPHX2ALOX5LOXL2HDAC6MAPT
SCHEMBL21104409 0.82 EPHX2 (0.46) EPHX2ALOX5LOXL2HDAC6MAPT
SCHEMBL15713307 0.82 EPHX2 (0.47) EPHX2ALOX5LOXL2HDAC6MAPT
SCHEMBL15689586 0.82 HDAC6 (0.51) EPHX2ALOX5LOXL2NPC1HDAC6
SCHEMBL15689757 0.82 HDAC6 (0.48) EPHX2ALOX5LOXL2NPC1RAB9A
SCHEMBL15689693 0.82 HDAC6 (0.47) EPHX2ALOX5LOXL2NPC1HDAC6
SCHEMBL3746477 0.81 LOXL2 (0.45) EPHX2ALOX5LOXL2NPC1RAB9A

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 EPHX2 2510/4885ALOX5 1534/4885LOXL2 575/4885

“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.