SCHEMBL21999476

SCHEMBL21999476

Cc1cccc2c1OCCNC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.54
PARP10 Q53GL7 7/20 0.54
PARP11 Q9NR21 6/20 0.54
FABP6 P51161 1/20 0.43
PDPK1 O15530 1/20 0.40
DAO P14920 1/20 0.39
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1A P35348 1/20 0.37
MAP3K5 Q99683 1/20 0.37
PIM1 P11309 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL21333792 0.83 FABP6 (0.50) PARP1PARP10PARP11FABP6PDPK1
SCHEMBL20880758 0.80 PARP1 (0.54) PARP1PARP10PARP11FABP6PDPK1
SCHEMBL2985573 0.80 PARP1 (0.54) PARP1PARP10PARP11FABP6PDPK1
SCHEMBL2983974 0.80 ALPL (0.46) PARP1PARP10PARP11FABP6MAPT
SCHEMBL4898912 0.75 ALDH1A1 (0.44) PARP1PARP10PARP11ADRA2AADRA2B
SCHEMBL31170723 0.75 ALDH1A1 (0.44) PARP1PARP10PARP11ADRA2AADRA2B
SCHEMBL21461173 0.75 S100A4 (0.42) PARP1PARP10PARP11FABP6PDPK1
SCHEMBL19744350 0.74 MAPT (0.43) PARP1PARP10PARP11ADRA2AADRA2B
SCHEMBL31170819 0.74 MAPT (0.43) PARP1PARP10PARP11ADRA2AADRA2B
SCHEMBL13801972 0.73 FABP6 (0.43) PARP1PARP10PARP11FABP6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 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-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG PARP1 1809/4885PARP10 1023/4885PARP11 1280/4885

“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.