SCHEMBL22550922

SCHEMBL22550922

O=C1/C(=C/c2ccccc2)CN(c2ccccc2)C/C1=C\c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.60
▸ F3 P13726 1/20 0.56
▸ ACHE P22303 6/20 0.55
▸ PTGS2 P35354 3/20 0.54
▸ BCHE P06276 2/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MDM2 Q00987 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HTT P42858 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MGAM O43451 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ SI P14410 1/20 0.47
▸ MGAM2 Q2M2H8 1/20 0.47
▸ MIF P14174 1/20 0.46

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
SCHEMBL22550815 0.89 KMT2A (0.54) CYP1A2ACHEPTGS2BCHEALDH1A1
SCHEMBL22529620 0.89 KMT2A (0.54) CYP1A2ACHEPTGS2BCHEALDH1A1
SCHEMBL22529619 0.89 KMT2A (0.54) CYP1A2ACHEPTGS2BCHEALDH1A1
Diethylamine SCHEMBL8780601 0.88 ALDH1A1 (0.52) CYP1A2F3ACHEPTGS2BCHE
SCHEMBL22822783 0.85 MAPT (0.66) CYP1A2ACHEPTGS2BCHEALDH1A1
SCHEMBL22462346 0.85 MAPT (0.66) CYP1A2ACHEPTGS2BCHEALDH1A1
SCHEMBL22462347 0.85 MAPT (0.66) CYP1A2ACHEPTGS2BCHEALDH1A1
SCHEMBL22529623 0.83 CASP3 (0.57) PTGS2BCHEALDH1A1MEN1MAPT
SCHEMBL22529624 0.83 CASP3 (0.57) PTGS2BCHEALDH1A1MEN1MAPT
SCHEMBL22822873 0.83 CASP3 (0.57) PTGS2BCHEALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399220-A1 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACTIVITY AND USES THEREOF KIAKOS KONSTANTINOS (AT) 2020-12-24 — — US disclosed
WO-2019097080-A9 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACITIVTY AND USES THEROF KIAKOS KONSTANTINOS (AT) 2020-10-15 — — WO 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-20200399220-A1 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACTIVITY AND USES THEREOF STAT3, JAK2, STAT6 CYP1A2 4544/4885F3 489/4885ACHE 4849/4885

“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.

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