SCHEMBL800594

SCHEMBL800594

COC(=O)/C(Cc1ccc(C(N)=O)cc1)=C(\C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
DPP4 P27487 4/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL800598 0.87 KMT2A (0.44) CA1CA2HSD17B10POLB
SCHEMBL304341 0.86 PARP10 (0.41) PARP10CA1CA2PARP1PARP2
SCHEMBL304343 0.86 PARP10 (0.41) PARP10CA1CA2PARP1PARP2
SCHEMBL800602 0.84 SPHK2 (0.43) CA1CA2
SCHEMBL800606 0.84 ESR1 (0.42) CA1CA2POLB
SCHEMBL14141065 0.83 PARP10 (0.39) PARP10CA1CA2PARP1PARP2
SCHEMBL800605 0.81 TDP1 (0.43) POLB
SCHEMBL800095 0.79 POLB (0.41) POLBHDAC6
SCHEMBL800603 0.77 PTGS2 (0.43) POLB
SCHEMBL800777 0.76 HPGD (0.51)

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-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA PARP10 3704/4885CA1 727/4885CA2 313/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA PARP10 3631/4885CA1 921/4885CA2 355/4885

“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.