SCHEMBL3089032

SCHEMBL3089032

COC1CCCCC1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MMP2 P08253 1/20 0.47
ANPEP P15144 1/20 0.47
POLB P06746 3/20 0.47
ATM Q13315 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
EPHX1 P07099 1/20 0.43

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
SCHEMBL13156519 1.00 NPC1 (0.52) NPC1RAB9AMEN1KMT2AMMP2
SCHEMBL13156516 0.87 L3MBTL1 (0.50) MEN1KMT2AALDH1A1LMNA
SCHEMBL3101236 0.87 L3MBTL1 (0.50) MEN1KMT2AALDH1A1LMNA
SCHEMBL30583807 0.86 NPC1 (0.62) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL13181608 0.83 HDAC3 (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30583810 0.81 NPC1 (0.56) NPC1RAB9AMEN1KMT2AMMP2
SCHEMBL9834832 0.81 NPC1 (0.53) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3103839 0.80 NPC1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13156495 0.80 NPC1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6904159 0.80 NPC1 (0.59) NPC1RAB9AMEN1KMT2AMMP2

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 NPC1 3406/4885RAB9A 557/4885MEN1 647/4885

“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.