SCHEMBL10071239

SCHEMBL10071239

CC1([N+](=O)[O-])CC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.50
KDM1A O60341 1/20 0.48
ACHE P22303 1/20 0.47
ALDH1A1 P00352 6/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CACNA1F O60840 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
OPRK1 P41145 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL10071228 0.86 KMT2A (0.50) LMNATSHRACHEALDH1A1GAA
SCHEMBL10071225 0.83 KDM1A (0.50) LMNAKDM1AALDH1A1KMT2AMEN1
SCHEMBL545458 0.76 ALDH1A1 (0.48) LMNATSHRKDM1AALDH1A1KMT2A
SCHEMBL545459 0.76 ALDH1A1 (0.48) LMNATSHRKDM1AALDH1A1KMT2A
SCHEMBL30637390 0.75 LMNA (0.46) LMNATSHRKDM1AACHEALDH1A1
SCHEMBL10073893 0.75 LMNA (0.43) LMNATSHRKDM1AACHEALDH1A1
SCHEMBL10071227 0.75 ACHE (0.44) LMNATSHRKDM1AACHEALDH1A1
SCHEMBL30317990 0.74 TSHR (0.59) LMNATSHRKDM1AACHEALDH1A1
SCHEMBL10046438 0.74 TSHR (0.59) LMNATSHRKDM1AACHEALDH1A1
SCHEMBL10071236 0.73 MEN1 (0.47) KDM1AALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-01 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-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates PPOX, IDH3A, HMOX2 LMNA 3375/4885TSHR 4237/4885KDM1A 1406/4885

“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.