SCHEMBL10073893

SCHEMBL10073893

[C-]#[N+][C@@]1(C(C)(C)C)C[C@H]1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
TSHR P16473 2/20 0.40
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 7/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR3C2 P08235 1/20 0.39
ACHE P22303 1/20 0.39
CACNA1F O60840 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10073888 0.76 KDM1A (0.44) KDM1A
SCHEMBL10071239 0.75 LMNA (0.51) LMNATSHRKDM1AALDH1A1GAA
SCHEMBL545048 0.69 NR3C2 (0.52) LMNATSHRALDH1A1GAAKMT2A
SCHEMBL545458 0.68 ALDH1A1 (0.48) LMNATSHRKDM1AALDH1A1KMT2A
SCHEMBL545459 0.68 ALDH1A1 (0.48) LMNATSHRKDM1AALDH1A1KMT2A
SCHEMBL30637390 0.67 LMNA (0.46) LMNATSHRKDM1AALDH1A1GAA
SCHEMBL30317990 0.66 TSHR (0.59) LMNATSHRKDM1AALDH1A1GAA
SCHEMBL10046438 0.66 TSHR (0.59) LMNATSHRKDM1AALDH1A1GAA
SCHEMBL13691660 0.65 SLC9A1 (0.58) LMNATSHRKDM1AALDH1A1GAA
Methyl Alcohol SCHEMBL28323753 0.65 LMNA (0.54) LMNATSHRALDH1A1GAAKMT2A

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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA LMNA 2060/4885TSHR 4532/4885KDM1A 2149/4885

“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.