SCHEMBL10071238

SCHEMBL10071238

CC1([N+](=O)[O-])CC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
RCOR1 Q9UKL0 1/20 0.47
PKM P14618 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
FBP1 P09467 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR2C P28335 3/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL10071234 0.86 HSD11B1 (0.38) MEN1KMT2A
SCHEMBL10071237 0.82 NPSR1 (0.46) KDM1ARCOR1FBP1MEN1KMT2A
SCHEMBL10071227 0.80 ACHE (0.44) KDM1APKMCYP3A4FBP1MAOA
SCHEMBL10071236 0.79 MEN1 (0.47) KDM1ARCOR1FBP1MEN1KMT2A
SCHEMBL10071235 0.79 KDM1A (0.42) KDM1ARCOR1CYP3A4CYP2D6MEN1
SCHEMBL10071225 0.78 KDM1A (0.50) KDM1AMAOAMAOBMEN1KMT2A
SCHEMBL545372 0.72 KDM1A (0.39) KDM1ARCOR1
SCHEMBL545026 0.71 KDM1A (0.43) KDM1ARCOR1KMT2A
SCHEMBL10071239 0.70 LMNA (0.51) KDM1AMEN1KMT2A
SCHEMBL25025889 0.69 CYP3A4 (0.52) KDM1ARCOR1CYP3A4CYP2D6MAOA

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 1406/4885RCOR1 1859/4885PKM 2758/4885

“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.