SCHEMBL3101236

SCHEMBL3101236

COC1CCCCC1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
ALOX5 P09917 3/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
AHR P35869 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 1/20 0.41
HK1 P19367 1/20 0.40
HK2 P52789 1/20 0.40
HTT P42858 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
SCHEMBL13156516 1.00 L3MBTL1 (0.50) L3MBTL1ALOX5CA1CA2CA4
SCHEMBL13156519 0.87 NPC1 (0.52) LMNAMEN1KMT2AALDH1A1
SCHEMBL3089032 0.87 NPC1 (0.52) LMNAMEN1KMT2AALDH1A1
SCHEMBL3100194 0.86 L3MBTL1 (0.47) L3MBTL1ALOX5CA1CA2CA4
SCHEMBL13156476 0.86 L3MBTL1 (0.47) L3MBTL1ALOX5CA1CA2CA4
SCHEMBL31291527 0.86 L3MBTL1 (0.56) L3MBTL1ALOX5TAS1R3TAS1R1TAS1R2
SCHEMBL13181726 0.83 L3MBTL1 (0.44) L3MBTL1ALOX5CA1CA2CA4
SCHEMBL457103 0.80 L3MBTL1 (0.50) L3MBTL1ALOX5CA1CA2TAS1R3
SCHEMBL10024168 0.80 L3MBTL1 (0.50) L3MBTL1ALOX5TAS1R3TAS1R1TAS1R2
SCHEMBL13139940 0.80 TAS1R3 (0.63) L3MBTL1TAS1R3TAS1R1TAS1R2MEN1

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 4868/4885ALOX5 1209/4885CA1 2606/4885

“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.