SCHEMBL10071242

SCHEMBL10071242

CC1([N+](=O)[O-])CC1CCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL545631 0.72 L3MBTL1 (0.41) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL545682 0.71 KMT2A (0.34) SIGMAR1CYP2C19MEN1KMT2A
SCHEMBL14284291 0.71 CYP3A4 (0.38) SIGMAR1CYP2C19MEN1KMT2AALDH1A1
SCHEMBL14284293 0.70 CYP3A4 (0.32) SIGMAR1HTT
SCHEMBL10071225 0.68 KDM1A (0.50) CYP2C19MEN1KMT2AALDH1A1
SCHEMBL10073905 0.68 CTSS (0.41) SLC18A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL18695808 0.66 SLC18A2 (0.40) SLC18A2
SCHEMBL23809773 0.65 CARM1 (0.45) SLC18A2
SCHEMBL16158893 0.65 CYP19A1 (0.40) SLC18A2
SCHEMBL27583120 0.64 ALDH1A1 (0.65) SIGMAR1CYP2C19MEN1KMT2AALDH1A1

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 SLC18A2 1392/4885SIGMAR1 1555/4885CYP2C19 839/4885

“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.