SCHEMBL992269

SCHEMBL992269

O=C=NC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
RAB9A P51151 2/20 0.50
AKR1C3 P42330 1/20 0.49
HTT P42858 2/20 0.47
HTR2A P28223 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAOB P27338 1/20 0.46
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8849150 0.84 IDO1 (0.56) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL8849145 0.84 IDO1 (0.56) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL11165854 0.81 IDO1 (0.57) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL18776419 0.81 IDO1 (0.53) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL8375374 0.80 IDO1 (0.54) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL1013 0.79 IDO1 (0.62) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL37664 0.79 HTR2A (0.62) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL2299037 0.78 AKR1C3 (0.51) IDO1RAB9AAKR1C3HTTHTR2A
SCHEMBL1162336 0.77 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2
SCHEMBL6399778 0.77 IDO1 (0.59) IDO1RAB9AAKR1C3HTTHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed
WO-2011140009-A1 METHODS OF USING SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2011-11-10 WO disclosed
EP-2373694-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BioMarin Pharmaceutical Inc. (US) 2011-10-12 EP disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 WO disclosed
US-4518773-A \"3-Carbamoyloxy cephalosporins\ BRISTOL-MYERS COMPANY (US) 1985-05-21 US disclosed
US-4426520-A CEPHALOSPORIN ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1984-01-17 US disclosed
US-4407755-A BACTERICIDAL PENICILLINS BRISTOL-MYERS COMPANY (US) 1983-10-04 US disclosed
US-4374982-A Cepham compounds BRISTOL-MYERS COMPANY (US) 1983-02-22 US disclosed
US-4322347-A 2-Carbamoyloxymethyl-penicillin derivatives BRISTOL-MYERS COMPANY (US) 1982-03-30 US disclosed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 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-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 IDO1 541/4885RAB9A 2444/4885AKR1C3 2458/4885

“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.