SCHEMBL5098760

SCHEMBL5098760

CN(C)C(=O)c1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 4/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.49
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DNA2 P51530 1/20 0.43
CASP6 P55212 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GPR35 Q9HC97 1/20 0.42

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
SCHEMBL29351965 0.83 TDP1 (0.66) TSHRTDP1L3MBTL1KMT2APOLB
SCHEMBL304456 0.83 TDP1 (0.66) TSHRTDP1L3MBTL1KMT2APOLB
SCHEMBL15869336 0.83 TDP1 (0.66) TSHRTDP1L3MBTL1KMT2APOLB
SCHEMBL14398202 0.82 TSHR (0.50) TSHRTDP1L3MBTL1KMT2APOLB
SCHEMBL15507331 0.82 TSHR (0.65) TSHRTDP1L3MBTL1KMT2APOLB
N,N-Dimethylethanaminium SCHEMBL3496715 0.82 TSHR (0.56) TSHRTDP1L3MBTL1KMT2AHTT
N,N-Dimethylethanaminium SCHEMBL15475254 0.82 TSHR (0.56) TSHRTDP1L3MBTL1KMT2AHTT
N,N-Dimethylethanaminium SCHEMBL27698286 0.82 TSHR (0.56) TSHRTDP1L3MBTL1KMT2AHTT
Ammonia Solution, Strong SCHEMBL5572312 0.82 TDP1 (0.64) TSHRTDP1L3MBTL1KMT2APOLB
SCHEMBL11278116 0.82 TSHR (0.64) TSHRTDP1L3MBTL1KMT2APOLB

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 TSHR 3766/4885TDP1 4234/4885L3MBTL1 1006/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 TSHR 3965/4885TDP1 2401/4885L3MBTL1 1577/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 TSHR 4017/4885TDP1 2436/4885L3MBTL1 1627/4885

“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.