SCHEMBL10071225

SCHEMBL10071225

CC1([N+](=O)[O-])CC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.50
MAOA P21397 17/20 0.50
MAOB P27338 17/20 0.50
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
KCNA4 P22459 1/20 0.42
KCNA1 Q09470 1/20 0.42
KCNAB1 Q14722 1/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL10071239 0.83 LMNA (0.51) KDM1AMEN1KMT2AALDH1A1LMNA
SCHEMBL10071237 0.82 NPSR1 (0.46) KDM1AMEN1CYP2C19KMT2A
SCHEMBL10071236 0.82 MEN1 (0.47) KDM1AMEN1CYP2C19KMT2AALDH1A1
SCHEMBL10071235 0.82 KDM1A (0.42) KDM1AMEN1CYP2C19KMT2A
SCHEMBL10071228 0.82 KMT2A (0.50) MEN1CYP2C19KMT2AALDH1A1LMNA
SCHEMBL10071234 0.80 HSD11B1 (0.38) MEN1KMT2AALDH1A1LMNA
SCHEMBL10071238 0.78 KDM1A (0.47) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL10071229 0.77 NPSR1 (0.48) MEN1CYP2C19KMT2AALDH1A1LMNA
SCHEMBL3198171 0.74 CYP2C19 (0.44) KDM1AMAOAMAOBMEN1CYP2C19
SCHEMBL16032835 0.72 ALDH1A1 (0.48) MEN1CYP2C19KMT2AALDH1A1LMNA

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 KDM1A 1406/4885MAOA 458/4885MAOB 1022/4885

“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.