SCHEMBL3100194

SCHEMBL3100194

CC(C)OC1CCCCC1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALOX5 P09917 4/20 0.43
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
AHR P35869 1/20 0.39

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
SCHEMBL13156476 1.00 L3MBTL1 (0.47) L3MBTL1MEN1KMT2AALOX5TAS1R3
SCHEMBL3101236 0.86 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AALOX5TAS1R3
SCHEMBL13156516 0.86 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AALOX5TAS1R3
SCHEMBL31291527 0.83 L3MBTL1 (0.56) L3MBTL1MEN1KMT2AALOX5TAS1R3
SCHEMBL13181726 0.80 L3MBTL1 (0.44) L3MBTL1MEN1KMT2AALOX5TAS1R3
SCHEMBL13139940 0.77 TAS1R3 (0.63) L3MBTL1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL10024168 0.77 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AALOX5TAS1R3
SCHEMBL457103 0.77 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AALOX5TAS1R3
SCHEMBL3101149 0.77 TAS1R3 (0.51) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL3096606 0.77 MERTK (0.51) ALOX5

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-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

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 L3MBTL1 4868/4885MEN1 647/4885KMT2A 2717/4885

“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.