SCHEMBL10071236

SCHEMBL10071236

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM1A O60341 5/20 0.42
RCOR1 Q9UKL0 5/20 0.42
LIG1 P18858 1/20 0.42
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.34
FBP1 P09467 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 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
SCHEMBL10071235 0.83 KDM1A (0.42) MEN1KMT2AKDM1ARCOR1LIG1
SCHEMBL10071237 0.83 NPSR1 (0.46) MEN1KMT2AKDM1ARCOR1LIG1
SCHEMBL10071225 0.82 KDM1A (0.50) MEN1KMT2AKDM1AALDH1A1CYP2C19
SCHEMBL10071234 0.80 HSD11B1 (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL10071239 0.73 LMNA (0.51) MEN1KMT2AKDM1AALDH1A1MAPT
SCHEMBL4339855 0.73 KDM1A (0.53) MEN1KMT2AKDM1ARCOR1LIG1
SCHEMBL10071228 0.72 KMT2A (0.50) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL28360839 0.70 MEN1 (0.49) MEN1KMT2AMAPK1ALDH1A1NPSR1
Bicarbonate SCHEMBL10971534 0.69 MAPK1 (0.50) MEN1KMT2AKDM1ARCOR1LIG1
SCHEMBL544761 0.68 OPRK1 (0.45) MEN1KMT2AKDM1ARCOR1NPSR1

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 MEN1 3138/4885KMT2A 1179/4885KDM1A 1406/4885

“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.