SCHEMBL9936708

SCHEMBL9936708

O=C(CCl)C1=NOC(CCOc2c(F)cccc2F)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
ITGAV P06756 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MIF P14174 4/20 0.32
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 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
SCHEMBL564213 0.74 POLB (0.35) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL9936710 0.74
SCHEMBL16213092 0.70 ALDH1A1 (0.62) LMNAALDH1A1MIFNPC1RAB9A
SCHEMBL16213506 0.69 ALDH1A1 (0.32) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL18936052 0.69 LMNA (0.48) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL9936193 0.67 MIF (0.47) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL19194383 0.67 ITGB3 (0.43) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL16213560 0.66 NPC1 (0.34) LMNAALDH1A1NPC1RAB9AATM
SCHEMBL7682704 0.65 SCN8A (0.36) TDP1
SCHEMBL1979983 0.64 TSHR (0.47) LMNAALDH1A1NPC1RAB9A

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-2651219-A2 FUNGICIDAL AZOCYCLIC AMIDES E.I. Du Pont De Nemours And Company (US) 2013-10-23 EP disclosed
US-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
WO-2012082580-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-21 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-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES CYP51A1, Q6ZSR9, NOX1 HDAC3 691/4885HDAC1 233/4885HDAC2 610/4885

“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.