SCHEMBL22823327

SCHEMBL22823327

O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CN(Cc2ccccc2)C/C1=C\c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ BCHE P06276 3/20 0.62
▸ PTGS2 P35354 2/20 0.62
▸ ACHE P22303 7/20 0.58
▸ RAB9A P51151 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ CARM1 Q86X55 1/20 0.57
▸ APP P05067 2/20 0.56
▸ SNCA P37840 2/20 0.56
▸ USP18 Q9UMW8 1/20 0.54
▸ UCHL5 Q9Y5K5 1/20 0.54
▸ CASP3 P42574 1/20 0.54
▸ BACE1 P56817 1/20 0.54

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
SCHEMBL19629172 0.85 ACHE (0.74) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL3005164 0.83 MAPT (0.50) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL3005167 0.83 MAPT (0.50) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL16755530 0.82 ALDH1A1 (0.71) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL16769899 0.82 ALDH1A1 (0.71) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL16755532 0.82 ALDH1A1 (0.71) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL15562912 0.81 ALDH1A1 (0.70) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL16755540 0.81 ACHE (0.78) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL16755537 0.81 ACHE (0.78) MAPTALDH1A1LMNAMAPK1KMT2A
SCHEMBL16769890 0.81 ALDH1A1 (0.70) MAPTALDH1A1LMNAMAPK1KMT2A

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 MAPT 4414/4885ALDH1A1 928/4885LMNA 3396/4885

“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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