SCHEMBL5482399

SCHEMBL5482399

COC(=O)C(=O)CC(=O)c1cccc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 5/20 0.46
FEN1 P39748 5/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TP53BP1 Q12888 1/20 0.43
KMT2A Q03164 2/20 0.42
GRM5 P41594 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PTPN1 P18031 2/20 0.41
MTOR P42345 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2958248 0.86 ALDH1A1 (0.54) ERCC5FEN1HDAC1HDAC2TP53BP1
SCHEMBL2263377 0.82 CTNNB1 (0.54) ERCC5FEN1KMT2AALDH1A1KDM4E
SCHEMBL11269818 0.82 KDM4E (0.50) ERCC5FEN1KMT2APTPN1ALDH1A1
SCHEMBL2200555 0.81 L3MBTL1 (0.50) ERCC5FEN1KMT2AALDH1A1KDM4E
SCHEMBL29819613 0.81 KMT2A (0.61) ERCC5FEN1KMT2AALDH1A1KDM4E
SCHEMBL20239513 0.81 KMT2A (0.61) ERCC5FEN1KMT2AALDH1A1KDM4E
SCHEMBL20487359 0.81 KDM4E (0.54) ERCC5FEN1HDAC1KMT2AALDH1A1
SCHEMBL8231217 0.81 ERCC5 (0.69) ERCC5FEN1KMT2AALDH1A1KDM4E
SCHEMBL7923301 0.80 HDAC1 (0.49) ERCC5FEN1HDAC1HDAC2TP53BP1
SCHEMBL1109662 0.79 ERCC5 (0.64) ERCC5FEN1KMT2APTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007130825-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259895-A1 MGluR5 modulators VI ASTRAZENECA AB (SE) 2007-11-08 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 (2 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 ERCC5 4052/4885FEN1 4862/4885HDAC1 1102/4885
US-20070259895-A1 MGluR5 modulators VI GRM5, GRIK5, GRM6 ERCC5 3983/4885FEN1 4862/4885HDAC1 1304/4885

“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.