SCHEMBL3756541

SCHEMBL3756541

CN/C(=N\O)c1c(F)ccc(OCc2nc3cc(Cl)ccc3s2)c1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.43
ALOX5 P09917 10/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 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
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
AKR1B1 P15121 1/20 0.35
PPARA Q07869 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 1.00 EPHX2 (0.43) EPHX2ALOX5LOXL2HDAC6SMN1; SMN2
SCHEMBL3756547 0.86 EPHX2 (0.43) EPHX2ALOX5LOXL2HDAC6SMN1; SMN2
SCHEMBL21104409 0.86 EPHX2 (0.46) EPHX2ALOX5LOXL2HDAC6MAPT
SCHEMBL3746477 0.85 LOXL2 (0.45) EPHX2ALOX5LOXL2HDAC6SMN1; SMN2
SCHEMBL3746476 0.85 LOXL2 (0.45) EPHX2ALOX5LOXL2HDAC6SMN1; SMN2
SCHEMBL16709312 0.83 EPHX2 (0.46) EPHX2ALOX5LOXL2HDAC6AKR1B1
SCHEMBL15278209 0.82 EPHX2 (0.44) EPHX2ALOX5LOXL2HDAC6NPC1
SCHEMBL15689586 0.82 HDAC6 (0.51) EPHX2ALOX5LOXL2HDAC6NPC1
SCHEMBL15689757 0.82 HDAC6 (0.48) EPHX2ALOX5LOXL2HDAC6SMN1; SMN2
SCHEMBL3746479 0.81 LOXL2 (0.43) EPHX2ALOX5LOXL2HDAC6SMN1; SMN2

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.