SCHEMBL2742296

SCHEMBL2742296

[C-]#[N+]C(=Cc1ccc(C#N)cc1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 3/20 0.50
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HDAC2 Q92769 2/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ P4HB P07237 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL13377975 0.80 MAPT (0.49) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL2439472 0.78 FBP1 (0.57) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL231074 0.78 ALDH1A1 (0.60) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL2439471 0.78 FBP1 (0.57) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL230148 0.75 KDM4E (0.62) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL230147 0.75 KDM4E (0.62) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL7903277 0.75 KDM4E (0.62) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL3246531 0.74 AKR1C3 (0.62) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL20764492 0.74 AKR1C3 (0.62) FBP1ALDH1A1KDM4EKMT2APKM
SCHEMBL4579424 0.74 AKR1C3 (0.62) FBP1ALDH1A1KDM4EKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359362-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 — — US disclosed
US-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 — — US disclosed
US-8569314-B2 Triazolo and tetrazolo pyrimidine derivatives as HNE inhibitors for treating COPD BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-29 — — US disclosed
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 — — 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 (2 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-20140038988-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 FBP1 1905/4885ALDH1A1 197/4885KDM4E 4248/4885
US-20120004203-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD KEAP1, NOX4, NOX5 FBP1 1905/4885ALDH1A1 197/4885KDM4E 4248/4885

“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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