SCHEMBL3093763

SCHEMBL3093763

O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C2CCCCC21

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 1/20 0.49
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
POLB P06746 1/20 0.41
SLC18A3 Q16572 1/20 0.40

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
SCHEMBL3094898 0.83 KMT2A (0.59) KMT2AMEN1ALDH1A1CES1POLB
SCHEMBL13539432 0.76 L3MBTL1 (0.73) KMT2AMEN1L3MBTL1NPC1ALDH1A1
SCHEMBL27182236 0.75 L3MBTL1 (0.71) KMT2AMEN1L3MBTL1NPC1ALDH1A1
SCHEMBL1580369 0.74 L3MBTL1 (0.66) KMT2AMEN1L3MBTL1NPC1ALDH1A1
SCHEMBL735841 0.73 CA2 (0.53) KMT2AMEN1L3MBTL1NPC1ALDH1A1
SCHEMBL735842 0.73 CA2 (0.53) KMT2AMEN1L3MBTL1NPC1ALDH1A1
SCHEMBL31291527 0.72 L3MBTL1 (0.56) KMT2AMEN1L3MBTL1NPC1ALDH1A1
SCHEMBL3071849 0.72 L3MBTL1 (0.63) KMT2AMEN1L3MBTL1NPC1ALDH1A1
SCHEMBL2215394 0.72 L3MBTL1 (0.58) KMT2AMEN1L3MBTL1NPC1ALDH1A1
SCHEMBL2215399 0.72 L3MBTL1 (0.58) KMT2AMEN1L3MBTL1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799934-B2 Intermediates (synthons) in the synthesis of pharmaceuticals such as oseltamivir and other products; treating the arizidine with the nucleophile in the presence of a biaryl phosphoric acid catalyst UNIVERSITY OF SOUTH FLORIDA (US) 2010-09-21 US disclosed
US-20090030212-A1 Enantioselective ring-opening of aziridines UNIVERSITY OF SOUTH FLORIDA OF TAMPA 2009-01-29 US disclosed
WO-2009005775-A2 ENANTIOSELECTIVE RING-OPENING OF AZIRIDINES UNIVERSITY OF SOUTH FLORIDA (US) 2009-01-08 WO 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-20090030212-A1 Enantioselective ring-opening of aziridines AZI2, ITPA, ADORA2A KMT2A 2717/4885MEN1 647/4885L3MBTL1 4868/4885

“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.