SCHEMBL12856432

SCHEMBL12856432

O=C(OCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.61
KMT2A Q03164 2/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A3 Q01959 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HTT P42858 2/20 0.56
LMNA P02545 1/20 0.55
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.54
PDE1C Q14123 1/20 0.52
NPC1 O15118 1/20 0.51

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
SCHEMBL5335470 0.97 KMT2A (0.60) ALOX5KMT2ASLC6A2SLC6A3TDP1
SCHEMBL8561986 0.93 KMT2A (0.55) ALOX5KMT2ASLC6A2SLC6A3TDP1
SCHEMBL2003642 0.90 KMT2A (0.53) ALOX5KMT2ASLC6A2SLC6A3TDP1
SCHEMBL27747363 0.90 KMT2A (0.53) ALOX5KMT2ASLC6A2SLC6A3TDP1
SCHEMBL9051523 0.90 NPC1 (0.61) ALOX5KMT2ASLC6A2SLC6A3TDP1
SCHEMBL417705 0.89 MAPT (0.60) ALOX5KMT2ASLC6A2SLC6A3TDP1
SCHEMBL2825416 0.88 MAPT (0.69) KMT2ASLC6A2SLC6A3TDP1HTT
SCHEMBL4626752 0.88 KMT2A (0.50) ALOX5KMT2ASLC6A2SLC6A3TDP1
SCHEMBL12642453 0.88 KMT2A (0.60) ALOX5KMT2ASLC6A2SLC6A3TDP1
SCHEMBL523154 0.86 KMT2A (0.67) ALOX5KMT2ASLC6A2SLC6A3TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110038805-A1 COMPOUNDS COMPRISING PARAMAGNETIC CHELATES ARRANGED AROUND A CENTRAL CORE AND THEIR USE IN MAGNETO RESONANCE IMAGING AND SPECTROSCOPY GE HEALTHCARE AS (NO) 2011-02-17 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-20110038805-A1 COMPOUNDS COMPRISING PARAMAGNETIC CHELATES ARRANGED AROUND A CENTRAL CORE AND THEIR USE IN MAGNETO RESONANCE IMAGING AND SPECTROSCOPY ABCB7, TSPO, MAG ALOX5 4409/4885KMT2A 2800/4885SLC6A2 1239/4885

“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.