SCHEMBL4841941

SCHEMBL4841941

COC(=O)c1nc(Br)[nH]c1Br

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.52
KDM4C Q9H3R0 1/20 0.39
ERCC1 P07992 2/20 0.36
FEN1 P39748 2/20 0.36
ERCC4 Q92889 2/20 0.36
XDH P47989 1/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
STAT3 P40763 1/20 0.35
HIF1A Q16665 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
RNASEH1 O60930 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL2517694 0.82 NPSR1 (0.50) NPSR1KDM4CERCC1FEN1ERCC4
SCHEMBL20028656 0.82 NPSR1 (0.50) NPSR1KDM4CERCC1FEN1ERCC4
SCHEMBL22263358 0.79 KDM4E (0.42) NPSR1KDM4EALDH1A1
SCHEMBL28824035 0.79 NPSR1 (0.47) NPSR1KDM4CERCC1FEN1ERCC4
SCHEMBL23214275 0.78 NPSR1 (0.45) NPSR1KDM4CERCC1FEN1ERCC4
SCHEMBL15050480 0.72 NPSR1 (0.41) NPSR1KDM4CXDHKDM4EL3MBTL1
SCHEMBL24596263 0.71 NPSR1 (0.45) NPSR1KDM4CKDM4EL3MBTL1STAT3
SCHEMBL8951086 0.70 NPSR1 (1.00) NPSR1KDM4CKDM4EL3MBTL1STAT3
SCHEMBL20477252 0.70 RNASEH1 (0.68) NPSR1ERCC1FEN1ERCC4L3MBTL1
SCHEMBL13726965 0.68 NPSR1 (0.46) NPSR1KDM4CERCC1FEN1ERCC4

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-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
EP-1802605-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Amgen, Inc (US) 2007-07-04 EP disclosed
WO-2006044527-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2006-04-27 WO disclosed
US-20060084640-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-04-20 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-20060084640-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 NPSR1 510/4885KDM4C 3658/4885ERCC1 4431/4885

“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.