SCHEMBL5645281

SCHEMBL5645281

COC(Cc1nc(C(=O)NCc2ccc(F)cc2)c(CO)c(=O)[nH]1)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 3/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CNR2 P34972 2/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
MMP13 P45452 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6649910 0.84 ERCC1 (0.41) ERCC1FEN1ERCC4SMN1; SMN2POLB
SCHEMBL6645878 0.81 ALDH1A1 (0.43) ERCC1FEN1ERCC4SMN1; SMN2TDP1
SCHEMBL5201911 0.80 KCNE1 (0.47) ERCC1FEN1ERCC4SMN1; SMN2POLB
SCHEMBL6884591 0.77 ERCC1 (0.50) ERCC1FEN1ERCC4SMN1; SMN2TDP1
SCHEMBL6651068 0.75 ERCC1 (0.52) ERCC1FEN1ERCC4SMN1; SMN2L3MBTL1
SCHEMBL6649380 0.73 ERCC1 (0.54) ERCC1FEN1ERCC4SMN1; SMN2
SCHEMBL6645450 0.73 SMN1; SMN2 (0.42) ERCC1FEN1ERCC4SMN1; SMN2TDP1
SCHEMBL5116135 0.72 POLB (0.44) ERCC1FEN1ERCC4SMN1; SMN2POLB
SCHEMBL6885131 0.71 ERCC1 (0.46) ERCC1FEN1ERCC4SMN1; SMN2TDP1
SCHEMBL9979028 0.71 KCNE1 (0.47) ERCC1FEN1ERCC4SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169780-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase ISTITUTE DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-01-30 US disclosed
US-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase MSD ITALIA S.R.L. (IT) 2005-02-03 US disclosed
EP-1441735-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-08-04 EP disclosed
WO-2003035077-A1 N-SUBSTITUTED HYDROXYPYRIMIDINONE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 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-20050025774-A1 N-substituted hydroxypyrimidinone carboxamide inhibitors of hiv integrase IMPDH1, CCNI, REV1 ERCC1 1448/4885FEN1 214/4885ERCC4 527/4885

“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.