SCHEMBL22006355

SCHEMBL22006355

O=c1[nH]c(=O)c2sc3c(Cl)cccc3c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
TYMP P19971 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PARP1 P09874 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
PSMB8 P28062 1/20 0.37
DYRK1A Q13627 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MCL1 Q07820 1/20 0.36
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
CSF1R P07333 1/20 0.35

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
SCHEMBL22006583 0.76 MAPK1 (0.40) DAOPARP1KDM4EPSMB8ALDH1A1
SCHEMBL2922284 0.75 DAO (0.60) DAOTYMPPARP1KDM4ECA12
SCHEMBL9404647 0.75 DAO (0.43) DAOPARP1KDM4ECA12CA9
SCHEMBL15694877 0.75 DYRK1A (0.48) DAOKDM4EPSMB8DYRK1AALDH1A1
SCHEMBL8049657 0.75 MAPT (0.56) PARP1KDM4ECA12CA9ALDH1A1
SCHEMBL23187129 0.73 MEN1 (0.59) PSMB8DYRK1AALDH1A1CDK5
SCHEMBL11372514 0.73 CYP1A2 (0.46) DAOPARP1KDM4EPSMB8DYRK1A
SCHEMBL11539582 0.73 PARP1 (0.44) DAOPARP1KDM4EPSMB8DYRK1A
SCHEMBL22006353 0.70 PIM1 (0.55) KDM4EPIM1
SCHEMBL22007508 0.70 PIM1 (0.45) DAOPARP1KDM4EALDH1A1MCL1

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-20200161564-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-05-21 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-20200161564-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OXER1, OR10J3, OCIAD1 DAO 685/4885TYMP 4839/4885PDE3B 3674/4885

“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.