SCHEMBL10071237

SCHEMBL10071237

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
KDM1A O60341 4/20 0.42
RCOR1 Q9UKL0 4/20 0.42
LIG1 P18858 1/20 0.42
RECQL P46063 1/20 0.37
POLB P06746 1/20 0.37
HSPB1 P04792 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HSD11B1 P28845 1/20 0.35
CYP2C19 P33261 2/20 0.35
RORC P51449 1/20 0.34
FBP1 P09467 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10071227 0.84 ACHE (0.44) NPSR1KDM1ARECQLCYP2C19FBP1
SCHEMBL10071235 0.83 KDM1A (0.42) KDM1ARCOR1LIG1POLBCYP2C19
SCHEMBL10071236 0.83 MEN1 (0.47) NPSR1KDM1ARCOR1LIG1CYP2C19
SCHEMBL10071225 0.82 KDM1A (0.50) KDM1ACYP2C19MEN1KMT2A
SCHEMBL10071234 0.80 HSD11B1 (0.38) HSD11B1MEN1KMT2A
SCHEMBL10071239 0.73 LMNA (0.51) KDM1ATDP1MEN1KMT2A
SCHEMBL10071240 0.73
SCHEMBL10071228 0.72 KMT2A (0.50) NPSR1TDP1CYP2C19FBP1MEN1
SCHEMBL18825711 0.70 KDM1A (0.63) KDM1ARCOR1LIG1RECQLCYP2C19
SCHEMBL16455044 0.70 KDM1A (0.63) KDM1ARCOR1LIG1RECQLCYP2C19

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 NPSR1 2608/4885KDM1A 1406/4885RCOR1 1859/4885

“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.