SCHEMBL10071228

SCHEMBL10071228

Cc1cccc(C2CC2(C)[N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
LMNA P02545 4/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.46
ACHE P22303 1/20 0.46
HTR2C P28335 3/20 0.38
MEN1 O00255 3/20 0.38
HPGD P15428 1/20 0.38
HTR1E P28566 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FBP1 P09467 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL10071239 0.86 LMNA (0.51) KMT2ALMNAMAPTTSHRACHE
SCHEMBL10071225 0.82 KDM1A (0.50) KMT2ALMNAMEN1ALDH1A1CYP2C19
SCHEMBL10071227 0.80 ACHE (0.44) KMT2ALMNAMAPTTSHRACHE
SCHEMBL10071236 0.72 MEN1 (0.47) KMT2AMAPTMEN1HPGDATM
SCHEMBL10071237 0.72 NPSR1 (0.46) KMT2AMEN1NPSR1FBP1CYP2C19
SCHEMBL10071235 0.72 KDM1A (0.42) KMT2ATSHRMEN1CYP2C19
SCHEMBL545242 0.72 CACNA1F (0.44) KMT2ALMNAMAPTTSHRMEN1
SCHEMBL10071229 0.71 NPSR1 (0.48) KMT2ALMNAMAPTTSHRHTR2C
SCHEMBL23989466 0.71 HTR2C (0.46) KMT2ALMNAMAPTACHEHTR2C
SCHEMBL10071234 0.70 HSD11B1 (0.38) KMT2ALMNAMAPTMEN1HPGD

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 KMT2A 1179/4885LMNA 3375/4885MAPT 3287/4885

“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.