SCHEMBL10071234

SCHEMBL10071234

CC(C)(C)c1ccc(C2CC2(C)[N+](=O)[O-])cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HPGD P15428 1/20 0.33
NPBWR1 P48145 1/20 0.32
SLC6A2 P23975 1/20 0.32
RIPK1 Q13546 1/20 0.32

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
SCHEMBL10071238 0.86 KDM1A (0.47) KMT2AMEN1
SCHEMBL10071235 0.80 KDM1A (0.42) KMT2AMEN1
SCHEMBL10071237 0.80 NPSR1 (0.46) HSD11B1KMT2AMEN1
SCHEMBL10071236 0.80 MEN1 (0.47) KMT2AMAPTRAB9AALDH1A1NPC1
SCHEMBL10071225 0.80 KDM1A (0.50) KMT2ALMNAALDH1A1MEN1
SCHEMBL28950358 0.75 TSHR (0.41) HSD11B1KMT2ALMNAALDH1A1SLC6A2
SCHEMBL544947 0.72 LMNA (0.36) HSD11B1LMNAMAPTRAB9ASMN1; SMN2
Bicarbonate SCHEMBL10767832 0.71 LMNA (0.42) HSD11B1KMT2ALMNAMAPTRAB9A
SCHEMBL10071239 0.71 LMNA (0.51) KMT2ALMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL10071228 0.70 KMT2A (0.50) KMT2ALMNAMAPTRAB9AALDH1A1

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 HSD11B1 395/4885KMT2A 1179/4885LMNA 3375/4885

“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.