SCHEMBL3545848

SCHEMBL3545848

O=C(NO)C1CCN1C(=S)c1ccc(OCC(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.39
KDM4E B2RXH2 2/20 0.38
SSTR4 P31391 4/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
HTR2A P28223 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
PKM P14618 1/20 0.36
SSTR1 P30872 2/20 0.36
S1PR1 P21453 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ADAM17 P78536 1/20 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
SCHEMBL3545850 1.00 SCN9A (0.39) SCN9AKDM4ESSTR4ALDH1A1POLB
SCHEMBL3547350 0.91 POLB (0.42) SCN9AALDH1A1POLBRXRARXRB
SCHEMBL3547352 0.91 POLB (0.42) SCN9AALDH1A1POLBRXRARXRB
SCHEMBL3554195 0.89 THRA (0.41) SCN9ASSTR4ALDH1A1RXRARXRB
SCHEMBL3554198 0.89 THRA (0.41) SCN9ASSTR4ALDH1A1RXRARXRB
SCHEMBL3548215 0.88 THRA (0.45) SCN9AALDH1A1S1PR1
SCHEMBL3539886 0.88 SCN9A (0.37) SCN9AKDM4ESSTR4RXRARXRB
SCHEMBL3548720 0.88 SCN9A (0.37) SCN9ASSTR4ALDH1A1POLBRXRA
SCHEMBL3548717 0.88 SCN9A (0.37) SCN9ASSTR4ALDH1A1POLBRXRA
SCHEMBL3539883 0.88 SCN9A (0.37) SCN9AKDM4ESSTR4RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US claimed
US-7691843-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2010-04-06 US disclosed
US-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity VICURON HOLDINGS LLC 2008-03-06 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 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-20080058304-A1 N-hydroxyamide derivatives possessing antibacterial activity AMDHD2, OGA, ENGASE SCN9A 4080/4885KDM4E 2323/4885SSTR4 3014/4885

“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.