SCHEMBL5108151

SCHEMBL5108151

C=CCOC(=O)c1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 5/20 0.46
CYP19A1 P11511 1/20 0.46
PTGS2 P35354 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 3/20 0.44
PKM P14618 2/20 0.44
MITF O75030 1/20 0.44
RAB9A P51151 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
SCHEMBL5108811 0.88 CYP3A4 (0.48) KMT2APOLBTDP1CYP3A4SMN1; SMN2
SCHEMBL5101748 0.85 CYP3A4 (0.57) KMT2APOLBTDP1CYP3A4SMN1; SMN2
SCHEMBL5108127 0.84 CYP3A4 (0.49) KMT2APOLBTDP1CYP3A4SMN1; SMN2
SCHEMBL4941803 0.84 SMN1; SMN2 (0.59) KMT2APOLBTDP1CYP3A4SMN1; SMN2
SCHEMBL10492784 0.83 CYP3A4 (0.50) KMT2ATDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL3544494 0.82 CYP3A4 (0.49) KMT2APOLBTDP1CYP3A4SMN1; SMN2
SCHEMBL5108203 0.82 LMNA (0.51) KMT2ATDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL570064 0.81 TDP1 (0.57) KMT2APOLBTDP1SMN1; SMN2MEN1
SCHEMBL5108220 0.81 KMT2A (0.44) KMT2APOLBCYP3A4SMN1; SMN2MEN1
SCHEMBL31302008 0.81 CYP3A4 (0.48) KMT2APOLBTDP1CYP3A4SMN1; 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 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 KMT2A 2029/4885POLB 3654/4885TDP1 4234/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 KMT2A 1783/4885POLB 3210/4885TDP1 2401/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 KMT2A 1735/4885POLB 3347/4885TDP1 2436/4885

“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.