SCHEMBL4168311

SCHEMBL4168311

Nc1ccc2c(c1F)CCNC2=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.60
ACHE P22303 1/20 0.51
PARP10 Q53GL7 14/20 0.47
PARP11 Q9NR21 13/20 0.47
PDPK1 O15530 1/20 0.41
GRM5 P41594 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
TIPARP Q7Z3E1 1/20 0.40
PARP16 Q8N5Y8 1/20 0.40

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
SCHEMBL4638131 0.90 PARP1 (0.49) PARP1ACHEPARP10PARP11PDPK1
SCHEMBL4165821 0.82 ACHE (0.54) PARP1ACHEPARP10PARP11PDPK1
SCHEMBL8260242 0.79 PARP1 (0.60) PARP1ACHEPARP10PARP11PDPK1
SCHEMBL14992245 0.79 ACHE (0.51) PARP1ACHEPARP10PARP11PDPK1
SCHEMBL29914781 0.79 PARP10 (0.60) PARP1ACHEPARP10PARP11PDPK1
SCHEMBL7581623 0.75 PARP1 (1.00) PARP1ACHEPARP10PARP11PDPK1
SCHEMBL15299930 0.74 CASP1 (0.41) PARP1
SCHEMBL29007917 0.74 NOTUM (0.46) PARP1ACHE
SCHEMBL6421827 0.71 PARP1 (0.64) PARP1ACHEPARP10PARP11PDPK1
SCHEMBL29587371 0.71 PARP1 (0.64) PARP1ACHEPARP10PARP11PDPK1

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-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
EP-1869010-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed
WO-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 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-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors TFPI, SERPINC1, SERPINE1 PARP1 205/4885ACHE 2043/4885PARP10 447/4885

“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.