SCHEMBL22823111

SCHEMBL22823111

CC(C)N1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.59
HSP90AA1 P07900 3/20 0.57
USP18 Q9UMW8 2/20 0.57
UCHL5 Q9Y5K5 2/20 0.57
USP2 O75604 1/20 0.57
MAPT P10636 8/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
HTT P42858 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 6/20 0.52
RAB9A P51151 4/20 0.52
LMNA P02545 4/20 0.52
MITF O75030 1/20 0.52
MAPK1 P28482 4/20 0.48
NPC1 O15118 2/20 0.48
ATM Q13315 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL31518782 0.84 ALDH1A1 (0.70) HSP90AA1MAPTSMN1; SMN2HTTNPSR1
SCHEMBL22822868 0.84 HSP90AA1 (0.66) CASP3HSP90AA1USP18UCHL5USP2
SCHEMBL22550768 0.80 SMN1; SMN2 (0.61) MAPTSMN1; SMN2HTTNPSR1KDM4E
SCHEMBL31518790 0.80 SMN1; SMN2 (0.61) MAPTSMN1; SMN2HTTNPSR1KDM4E
SCHEMBL17899494 0.79 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HTTNPSR1KDM4E
SCHEMBL31518799 0.79 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HTTNPSR1KDM4E
SCHEMBL31518802 0.79 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HTTNPSR1KDM4E
SCHEMBL31518781 0.79 SMN1; SMN2 (0.60) MAPTSMN1; SMN2HTTNPSR1KDM4E
SCHEMBL18802990 0.79 CASP3 (0.72) CASP3HSP90AA1USP18UCHL5USP2
SCHEMBL17899506 0.79 ALDH1A1 (0.68) MAPTSMN1; SMN2HTTNPSR1KDM4E

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.