SCHEMBL17829663

SCHEMBL17829663

Cc1cccc2c(=O)[nH]c(C(=O)OCl)nc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.57
PARP2 Q9UGN5 6/20 0.52
TNKS O95271 12/20 0.51
TNKS2 Q9H2K2 12/20 0.51
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PARP14 Q460N5 2/20 0.44
PARP11 Q9NR21 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
SCHEMBL8201209 0.85 PARP1 (0.56) PARP1PARP2TNKSTNKS2KDM4E
SCHEMBL8198835 0.76 PARP1 (0.55) PARP1PARP2TNKSTNKS2PARP14
SCHEMBL17829612 0.74 PARP1 (0.70) PARP1PARP2TNKSTNKS2PARP14
SCHEMBL4313736 0.74 PARP1 (0.70) PARP1PARP2TNKSTNKS2
SCHEMBL1387263 0.74 PARP1 (1.00) PARP1PARP2TNKSTNKS2KDM4E
SCHEMBL21072769 0.71 PARP1 (0.70) PARP1PARP2TNKSTNKS2PARP14
SCHEMBL9671521 0.71 PARP1 (0.70) PARP1PARP2TNKSTNKS2PARP14
SCHEMBL164147 0.71 TNKS (0.54) PARP1PARP2TNKSTNKS2PARP14
SCHEMBL6929158 0.71 PARP1 (0.64) PARP1PARP2TNKSTNKS2PARP14
SCHEMBL31483817 0.71 PARP1 (0.64) PARP1PARP2TNKSTNKS2PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 PARP1 2477/4885PARP2 3602/4885TNKS 1771/4885

“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.