SCHEMBL5095274

SCHEMBL5095274

C=CCOC(=O)c1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 2/20 0.58
POLB P06746 2/20 0.55
MAPT P10636 3/20 0.55
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
RECQL P46063 1/20 0.52
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL15956338 0.90 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL8788464 0.88 PRSS1 (0.47) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL5102190 0.84 TSHR (0.56) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL28483458 0.84 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL753770 0.83 KMT2A (0.45) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL2705489 0.83 CYP3A4 (0.50) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL6430392 0.82 MAPT (0.63) KMT2AMEN1LMNASMN1; SMN2POLB
SCHEMBL7639896 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL5109046 0.82 VCAM1 (0.57) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL2978481 0.82 THRB (0.52) ALDH1A1KMT2AMEN1LMNASMN1; SMN2

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 15 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
CN-1036006-C Antibiotic compounds ZENECA LTD (GB) 1997-10-01 CN 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
CN-1079224-A Antifungal compound ZENECA LTD (GB) 1993-12-08 CN 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 ALDH1A1 3269/4885KMT2A 2029/4885MEN1 764/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 ALDH1A1 1382/4885KMT2A 1783/4885MEN1 1586/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 ALDH1A1 1579/4885KMT2A 1735/4885MEN1 1356/4885

“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.