SCHEMBL4099301

SCHEMBL4099301

CCc1c(C(C)=N)oc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
ABCB1 P08183 2/20 0.43
MCL1 Q07820 3/20 0.41
KDM4E B2RXH2 5/20 0.41
AHR P35869 1/20 0.41
VKORC1 Q9BQB6 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
BAD Q92934 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
SCHEMBL8873193 0.83 PLK1 (0.49) PLK1ABCB1MCL1KDM4EAHR
SCHEMBL4093872 0.83 PLK1 (0.52) PLK1ABCB1MCL1KDM4EAHR
SCHEMBL2773751 0.79 MCL1 (0.58) PLK1MCL1KDM4EAHRNPC1
SCHEMBL13348987 0.78 PLK1 (0.51) PLK1ABCB1MCL1KDM4EAHR
SCHEMBL28131940 0.78 TEAD1 (0.51) PLK1KDM4EAHRNPC1RAB9A
SCHEMBL4088045 0.77 KMT2A (0.53) KDM4ENPC1RAB9ALMNATP53
SCHEMBL719454 0.76 KDM4E (0.63) PLK1KDM4EAHRNPC1RAB9A
SCHEMBL4514141 0.75 PLK1 (0.46) PLK1MCL1KDM4EAHRNPC1
SCHEMBL4514145 0.75 PLK1 (0.46) PLK1MCL1KDM4EAHRNPC1
Oxalic Acid SCHEMBL28849573 0.74 ALDH1A1 (0.49) PLK1MCL1KDM4EAHRNPC1

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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI PLK1 3315/4885ABCB1 972/4885MCL1 1383/4885

“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.