SCHEMBL10071235

SCHEMBL10071235

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.42
RCOR1 Q9UKL0 5/20 0.42
LIG1 P18858 1/20 0.42
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
MDM2 Q00987 1/20 0.33
CYP2C19 P33261 1/20 0.33
BRD4 O60885 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
SCHEMBL10071237 0.83 NPSR1 (0.46) KDM1ARCOR1LIG1MEN1KMT2A
SCHEMBL10071236 0.83 MEN1 (0.47) KDM1ARCOR1LIG1CYP2C9MEN1
SCHEMBL10071225 0.82 KDM1A (0.50) KDM1AMEN1KMT2ACYP2C19
SCHEMBL10071234 0.80 HSD11B1 (0.38) MEN1KMT2A
SCHEMBL13884396 0.73 LIG1 (0.41) KDM1ARCOR1LIG1HSD17B10CYP3A4
SCHEMBL10071239 0.73 LMNA (0.51) KDM1ATSHRMEN1KMT2A
SCHEMBL20149044 0.73 KDM1A (0.53) KDM1ARCOR1LIG1HSD17B10TSHR
SCHEMBL12860013 0.72 LIG1 (0.40) KDM1ARCOR1LIG1MEN1KMT2A
SCHEMBL10071228 0.72 KMT2A (0.50) TSHRMEN1KMT2ACYP2C19
SCHEMBL4772628 0.72 KDM1A (0.49) KDM1ARCOR1LIG1HSD17B10TSHR

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 1859/4885LIG1 159/4885

“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.