SCHEMBL4095186

SCHEMBL4095186

CCc1c([CH]C(N)=O)oc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
KDM4E B2RXH2 4/20 0.44
AHR P35869 1/20 0.44
VKORC1 Q9BQB6 1/20 0.41
ABCB1 P08183 2/20 0.41
SLC22A12 Q96S37 1/20 0.40
EYA3 Q99504 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CAPN1 P07384 1/20 0.40
RECQL P46063 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA2 P00918 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL23430426 0.81 VKORC1 (0.41) PLK1KDM4EAHRVKORC1ABCB1
SCHEMBL718444 0.80 ABCB1 (0.44) PLK1KDM4EVKORC1ABCB1SLC22A12
SCHEMBL4092983 0.79 L3MBTL1 (0.57) KDM4EAHRL3MBTL1RECQLKMT2A
SCHEMBL28131940 0.78 TEAD1 (0.51) PLK1KDM4EAHRCAPN1MEN1
SCHEMBL25854597 0.77 ABCB1 (0.44) PLK1KDM4EVKORC1ABCB1SLC22A12
SCHEMBL26506708 0.76 ABCB1 (0.40) PLK1KDM4EVKORC1ABCB1SLC22A12
SCHEMBL4773987 0.75 EYA3 (0.47) PLK1KDM4EAHRABCB1SLC22A12
Oxalic Acid SCHEMBL28849573 0.74 ALDH1A1 (0.49) PLK1KDM4EAHRL3MBTL1CAPN1
SCHEMBL4792448 0.74 ABCB1 (0.38) PLK1KDM4EVKORC1ABCB1SLC22A12
Sulfuric Acid SCHEMBL28171448 0.73 KMT2A (0.47) PLK1KDM4EAHRCAPN1KMT2A

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 3315/4885KDM4E 3209/4885AHR 4212/4885

“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.