SCHEMBL22822873

SCHEMBL22822873

O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CN(c2ccccc2)C/C1=C\c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.57
▸ HSP90AA1 P07900 3/20 0.56
▸ USP18 Q9UMW8 2/20 0.56
▸ UCHL5 Q9Y5K5 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ MAPT P10636 7/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPK1 P28482 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PTGS2 P35354 1/20 0.47

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
SCHEMBL22529623 1.00 CASP3 (0.57) CASP3HSP90AA1USP18UCHL5USP2
SCHEMBL22529624 1.00 CASP3 (0.57) CASP3HSP90AA1USP18UCHL5USP2
SCHEMBL22550893 0.92 CASP3 (0.50) CASP3HSP90AA1USP18UCHL5USP2
SCHEMBL22550922 0.83 CYP1A2 (0.60) MAPTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL22823327 0.80 MAPT (0.64) CASP3USP18UCHL5MAPTSMN1; SMN2
SCHEMBL22529619 0.80 KMT2A (0.54) MAPTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL22550815 0.80 KMT2A (0.54) MAPTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL22529620 0.80 KMT2A (0.54) MAPTSMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL22822868 0.80 HSP90AA1 (0.66) CASP3HSP90AA1USP18UCHL5USP2
SCHEMBL17885186 0.77 CASP3 (0.91) CASP3HSP90AA1USP18UCHL5USP2

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 CASP3 85/4885HSP90AA1 1134/4885USP18 3651/4885

“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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