SCHEMBL22822868

SCHEMBL22822868

CN1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.66
USP18 Q9UMW8 2/20 0.66
UCHL5 Q9Y5K5 2/20 0.66
USP2 O75604 1/20 0.66
CASP3 P42574 2/20 0.63
ACHE P22303 3/20 0.56
BCHE P06276 1/20 0.56
MAPT P10636 6/20 0.54
ALDH1A1 P00352 4/20 0.54
HTT P42858 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MAPK1 P28482 2/20 0.51
PTGS2 P35354 2/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL15940048 0.90 HSP90AA1 (0.58) HSP90AA1USP18UCHL5USP2CASP3
SCHEMBL14880552 0.90 HSP90AA1 (0.58) HSP90AA1USP18UCHL5USP2CASP3
SCHEMBL22823111 0.84 CASP3 (0.59) HSP90AA1USP18UCHL5USP2CASP3
SCHEMBL31518788 0.82 MAPT (0.75) HSP90AA1ACHEMAPTALDH1A1HTT
SCHEMBL18802990 0.82 CASP3 (0.72) HSP90AA1USP18UCHL5USP2CASP3
SCHEMBL22529624 0.80 CASP3 (0.57) HSP90AA1USP18UCHL5USP2CASP3
SCHEMBL22529623 0.80 CASP3 (0.57) HSP90AA1USP18UCHL5USP2CASP3
SCHEMBL22822873 0.80 CASP3 (0.57) HSP90AA1USP18UCHL5USP2CASP3
SCHEMBL31238035 0.79 USP18 (1.00) HSP90AA1USP18UCHL5USP2CASP3
SCHEMBL9619484 0.79 USP18 (0.67) HSP90AA1USP18UCHL5USP2CASP3

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-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

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 HSP90AA1 1134/4885USP18 3651/4885UCHL5 3363/4885

“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.