SCHEMBL5566147

SCHEMBL5566147

O=[C]C(=O)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.59
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KCNMA1 Q12791 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL5347363 0.82 PARP1 (0.57) PARP1ERCC5FEN1KCNK3KCNK9
SCHEMBL17244256 0.82 PARP1 (0.57) PARP1ERCC5FEN1KCNK3KCNK9
SCHEMBL3173817 0.78 PARP1 (0.68) PARP1ERCC5FEN1KCNK3KCNK9
SCHEMBL3169530 0.78 PARP1 (0.68) PARP1ERCC5FEN1KCNK3KCNK9
SCHEMBL29637481 0.76 PARP1 (0.65) PARP1ERCC5FEN1KCNK3KCNK9
SCHEMBL38766 0.76 PARP1 (0.65) PARP1ERCC5FEN1KCNK3KCNK9
SCHEMBL2163516 0.76 PARP1 (0.65) PARP1ERCC5FEN1KCNK3KCNK9
SCHEMBL3444927 0.76 PARP1 (0.65) PARP1ERCC5FEN1KCNK3KCNK9
SCHEMBL29360692 0.76 PARP1 (0.65) PARP1ERCC5FEN1KCNK3KCNK9
SCHEMBL104419 0.76 PARP1 (0.65) PARP1ERCC5FEN1KCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-20050143317-A1 Compounds and methods for treatment of thrombosis EXITHERA PHARMACEUTICALS LLC 2005-06-30 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-20050143317-A1 Compounds and methods for treatment of thrombosis SERPINC1, F11, F13B PARP1 1362/4885ERCC5 1227/4885FEN1 1303/4885

“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.