SCHEMBL5095212

SCHEMBL5095212

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
ALOX5 P09917 4/20 0.46
HTT P42858 3/20 0.43
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 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
SCHEMBL2530050 0.88 NPC1 (0.46) NPC1ALOX5HTTMAPTMEN1
SCHEMBL5708183 0.87 NPC1 (0.52) NPC1ALOX5SMN1; SMN2GAA
SCHEMBL5099713 0.87 NPC1 (0.52) NPC1ALOX5HTTMAPTSMN1; SMN2
SCHEMBL5108117 0.86 GAA (0.53) NPC1HTTMAPTMEN1KMT2A
SCHEMBL5102101 0.84 NPC1 (0.53) NPC1ALOX5HTTMAPTMEN1
SCHEMBL2367158 0.83 NPC1 (0.68) NPC1ALOX5HTTMAPTMEN1
SCHEMBL4657758 0.82 NPC1 (0.48) NPC1ALOX5HTTMAPTMEN1
SCHEMBL5098512 0.81 CYP3A4 (0.57) NPC1ALOX5HTTMAPTSMN1; SMN2
SCHEMBL5101716 0.81 NPC1 (0.47) NPC1ALOX5HTTMAPTSMN1; SMN2
SCHEMBL5102400 0.81 VCAM1 (0.50) NPC1ALOX5MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342005-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2008-03-11 US disclosed
US-7041836-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2006-05-09 US disclosed
US-20050209212-A1 Antibiotic compounds ASTRAZENECA UK LIMITED 2005-09-22 US disclosed
US-20030144264-A1 Antibiotic compounds ZENECA LIMITED 2003-07-31 US disclosed
US-6521612-B2 Antibiotic against grampositive, gramnegative bacteria ZENECA LTD. (GB) 2003-02-18 US disclosed
US-20020042408-A1 Antibiotic compounds ZENECA LIMITED 2002-04-11 US disclosed
US-6187804-B1 Antibiotic compounds ZENECA LIMITED (GB) 2001-02-13 US disclosed
US-5856321-A PREPARATION OF CARBAPENEMS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0579826-B1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LTD (GB) 1998-11-11 EP disclosed
US-5652233-A CARBAPENICILLINS ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 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 (3 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-20050209212-A1 Antibiotic compounds NRDC, NPR3, NGLY1 NPC1 848/4885ALOX5 3005/4885HTT 3278/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 NPC1 144/4885ALOX5 3595/4885HTT 3074/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 NPC1 156/4885ALOX5 3618/4885HTT 2915/4885

“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.