SCHEMBL5095253

SCHEMBL5095253

COc1cc(OC)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
TTR P02766 1/20 0.48
TSHR P16473 2/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
TPMT P51580 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP3A4 P08684 1/20 0.46
CDK2 P24941 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 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
SCHEMBL31229493 0.93 PKM (0.58) PKMALDH1A1KDM4EHPGDTTR
SCHEMBL14559830 0.91 PKM (0.55) PKMALDH1A1KDM4EHPGDTTR
SCHEMBL2903458 0.90 PKM (0.58) PKMALDH1A1KDM4EHPGDTSHR
SCHEMBL14939914 0.89 LCK (0.65) PKMALDH1A1KDM4EHPGDTTR
SCHEMBL8902275 0.88 PDK1 (0.48) PKMALDH1A1KDM4EHPGDTTR
SCHEMBL14993397 0.87 PKM (0.51) PKMALDH1A1HPGDTTRTSHR
SCHEMBL8901567 0.87 PKM (0.51) PKMALDH1A1KDM4EHPGDTTR
SCHEMBL4138153 0.86 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRTDP1CYP3A4
SCHEMBL28454415 0.86 PKM (0.58) PKMALDH1A1KDM4ETTRTSHR
SCHEMBL8902448 0.85 AKR1C3 (0.46) PKMALDH1A1KDM4ETTRTPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103987700-B 4-quinazoline amine derivant and application thereof 江苏豪森药业集团有限公司 2016-08-31 CN disclosed
CN-103987700-A 4-quinazoline amine derivative and application thereof JIANGSU HANSOH PHARMACEUTICAL 2014-08-13 CN disclosed
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-5686482-A DOPAMINE RECEPTOR ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-11 US 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
EP-0757985-A1 N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-02-12 EP 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 PKM 2550/4885ALDH1A1 3269/4885KDM4E 702/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 PKM 3594/4885ALDH1A1 1382/4885KDM4E 491/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 PKM 3632/4885ALDH1A1 1579/4885KDM4E 535/4885

“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.